6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile supplier

Name
6-(4-benzylpiperidin-1-yl)-5-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
EINECS
CAS No. 7063-25-4
Density 1.43 g/cm³
Solubility
Melting Point
Formula C₃₅H₃₄N₆O₃S₂
Boiling Point 653.8 °C at 760 mmHg
Molecular Weight 650.81
Flash Point 349.2 °C
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6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile Specification

This chemical is called 6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile, and its CAS registry number is 7063-25-4. With the molecular formula of C₃₅H₃₄N₆O₃S₂, its molecular weight is 650.81.

Other characteristics of the 6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile can be summarised as followings: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 148.59 Å²; (7)Index of Refraction: 1.736; (8)Molar Refractivity: 182.65 cm³; (9)Molar Volume: 454.7 cm³; (10)Polarizability: 72.4×10^-24cm³; (11)Surface Tension: 79.7 dyne/cm; (12)Density: 1.43 g/cm³; (13)Flash Point: 349.2 °C; (14)Enthalpy of Vaporization: 96.3 kJ/mol; (15)Boiling Point: 653.8 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C3SC(C(=O)N3C=2C(=O)N(c1ccccc1)N(C=2C)C)=CC=6/C(=C(/C#N)C(=O)N(C=6N5CCC(Cc4ccccc4)CC5)C)C
2.InChI: InChI=1/C35H34N6O3S2/c1-22-27(31(37(3)32(42)28(22)21-36)39-17-15-25(16-18-39)19-24-11-7-5-8-12-24)20-29-33(43)40(35(45)46-29)30-23(2)38(4)41(34(30)44)26-13-9-6-10-14-26/h5-14,20,25H,15-19H2,1-4H3
3.InChIKey: BLAQMIOHVSCBIB-UHFFFAOYAL

Product Name

6-(4-benzylpiperidin-1-yl)-5-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

6-(4-Benzyl-1-piperidyl)-5-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile Specification

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