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942947-93-5

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Basic Information
CAS No.: 942947-93-5
Name: CCT129202
Molecular Structure:
Molecular Structure of 942947-93-5 (CCT129202)
Formula: C23H25ClN8OS
Molecular Weight: 497.02
Synonyms: CCT129202
Density: 1.427 g/cm3
PSA: 125.01000
LogP: 4.21390
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Specification

The CCT129202 is an organic compound with the formula C23H25ClN8OS. With the CAS registry number 942947-93-5, the systematic name of this chemical is 2-(4-{6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}piperazin-1-yl)-N-1,3-thiazol-2-ylacetamide.

Physical properties about CCT129202 are: (1)ACD/LogP: 4.94; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 12.86; (5)ACD/BCF (pH 7.4): 198.16; (6)ACD/KOC (pH 5.5): 44.55; (7)ACD/KOC (pH 7.4): 686.6; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 101.87 Å2; (12)Index of Refraction: 1.718; (13)Molar Refractivity: 137.29 cm3; (14)Molar Volume: 348.1 cm3; (15)Polarizability: 54.42×10-24cm3; (16)Surface Tension: 75.4 dyne/cm; (17)Density: 1.427 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1nccs1)CN5CCN(c2c3nc(nc3ncc2Cl)c4ccc(N(C)C)cc4)CC5
(2)InChI: InChI=1/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
(3)InChIKey: QYKHWEFPFAGNEV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
(5)Std. InChIKey: QYKHWEFPFAGNEV-UHFFFAOYSA-N