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WZ8040

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Name

WZ8040

EINECS
CAS No. 1214265-57-2 Density 1.374 g/cm3
Solubility Melting Point
Formula C24H25ClN6OS Boiling Point
Molecular Weight 481.0129 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 1214265-57-2 (WZ8040) Hazard Symbols
Synonyms

N-[3-[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide;

 

WZ8040 Specification

The WZ8040 has CAS registry number 1214265-57-2. This chemical's molecular formula is C24H25ClN6OS and molecular weight is 481.0129. What's more, its systematic name is called N-[3-[5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide.

Physical properties about WZ8040 are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.212; (6)ACD/KOC (pH 5.5): 1.544; (7)ACD/KOC (pH 7.4): 72.044; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 98.69 Å2; (12)Index of Refraction: 1.695; (13)Molar Refractivity: 134.549 cm3; (14)Molar Volume: 350.191 cm3; (15)Surface Tension: 72.293 dyne/cm; (16)Density: 1.374 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Sc4cccc(c4)NC(=O)C=C)Cl
(2) InChI: InChI=1/C24H25ClN6OS/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
(3) InChIKey: KIISCIGBPUVZBF-UHFFFAOYAV

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