Product Name

5-Pyrimidinecarboxamide,N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]- Specification

The 5-Pyrimidinecarboxamide,N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-, with the CAS registry number 604769-01-9, is also known as N-Hydroxy-2-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine-5-carboxamide. This chemical's molecular formula is C19H19N5O4S and molecular weight is 413.45. What's more, its IUPAC name is [(5S)-5-Hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone. 

Physical properties of 5-Pyrimidinecarboxamide,N-hydroxy-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 8.33; (6)ACD/BCF (pH 7.4): 5.37; (7)ACD/KOC (pH 5.5): 158.26; (8)ACD/KOC (pH 7.4): 101.9; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 104.32 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 107.6 cm3; (15)Molar Volume: 281.9 cm3; (16)Polarizability: 42.65×10-24cm3; (17)Surface Tension: 73.4 dyne/cm; (18)Density: 1.466 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N2CCN(c1ncc(C(=O)NO)cn1)CC2)c4cc3ccccc3cc4
(2)Std. InChI: InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
(3)Std. InChIKey: MUTBJZVSRNUIHA-UHFFFAOYSA-

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