Compound C29H36N2O3S

(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

CAS: 96269-26-0

Molecular Formula	`C29H36N2O3S`
Molecular Weight	492.7 g/mol
LogP	5.8
Topological Polar Surface Area	99.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	492.24466
Heavy Atoms	35
Complexity	872.0

Chemical Identifiers

CAS Number	96269-26-0
SMILES	`CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6=CC=C(C=C6)OC)O)C`
InChIKey	`WNKIPYDQNKAAEL-VHSKNJRQSA-N`

📖 Product Overview

Compound C29H36N2O3S (CAS: 96269-26-0) is a chemical compound with molecular formula C29H36N2O3S and molecular weight 492.7 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one. LogP 5.8 Topological Polar Surface Area 99.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 492.24466 Heavy Atoms 35 Complexity 872.0 InChI Key: WNKIPYDQNKAAEL-VHSKNJRQSA-N. SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6=CC=C(C=C6)OC)O)C.

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