Product Name

N-[4-[(E)-(benzothiazol-2-ylhydrazinylidene)methyl]phenyl]acetamide Specification

The N-[4-[(E)-(benzothiazol-2-ylhydrazinylidene)methyl]phenyl]acetamide, with CAS registry number 5347-23-9, has the systematic name of N-(4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenyl)acetamide. And the chemical formula of this chemical is C16H14N4OS.

Physical properties of N-[4-[(E)-(benzothiazol-2-ylhydrazinylidene)methyl]phenyl]acetamide: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 359; (6)ACD/BCF (pH 7.4): 370; (7)ACD/KOC (pH 5.5): 2325; (8)ACD/KOC (pH 7.4): 2396; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 94.62 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 89.331 cm3; (15)Molar Volume: 234.408 cm3; (16)Polarizability: 35.413×10-24cm3; (17)Surface Tension: 53.656 dyne/cm; (18)Density: 1.324 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)/C=N/Nc2nc3ccccc3s2)C
(2)InChI: InChI=1/C16H14N4OS/c1-11(21)18-13-8-6-12(7-9-13)10-17-20-16-19-14-4-2-3-5-15(14)22-16/h2-10H,1H3,(H,18,21)(H,19,20)/b17-10+
(3)InChIKey: QTTRUZMZMHQLEN-LICLKQGHBX
(4)Std. InChI: InChI=1S/C16H14N4OS/c1-11(21)18-13-8-6-12(7-9-13)10-17-20-16-19-14-4-2-3-5-15(14)22-16/h2-10H,1H3,(H,18,21)(H,19,20)/b17-10+
(5)Std. InChIKey: QTTRUZMZMHQLEN-LICLKQGHSA-N

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