17-beta-(2-Anilino-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol

(3S,8R,9S,10R,13S,14S,17R)-17-(2-anilino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

CAS: 96996-84-8

Molecular Formula	`C28H36N2O2S`
Molecular Weight	464.7 g/mol
LogP	5.6
Topological Polar Surface Area	93.6 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	464.24976
Heavy Atoms	33
Complexity	784.0

Chemical Identifiers

CAS Number	96996-84-8
SMILES	`CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6=CC=CC=C6)O)C)O`
InChIKey	`ZAVNZJZVTKGGII-RSFKWRCVSA-N`

📖 Product Overview

17-beta-(2-Anilino-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol (CAS: 96996-84-8) is a chemical compound with molecular formula C28H36N2O2S and molecular weight 464.7 g/mol. Its IUPAC systematic name is (3S,8R,9S,10R,13S,14S,17R)-17-(2-anilino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol. LogP 5.6 Topological Polar Surface Area 93.6 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 464.24976 Heavy Atoms 33 Complexity 784.0 InChI Key: ZAVNZJZVTKGGII-RSFKWRCVSA-N. SMILES: CC12CCC(C=C1CCC3C2CCC4(C3CCC4(C5=CSC(=N5)NC6=CC=CC=C6)O)C)O.

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