Androst-4-en-3-one, 17-alpha-hydroxy-17-beta-(2-(p-toluidino)-4-thiazolyl)-

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Basic information

CAS: 96269-23-7
Standard SMILES: Cc1ccc(Nc2nc([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)cs2)cc1
InChIKey: PZNFLFXPQBPMJV-VHSKNJRQSA-N
Molecular formula: C29H36N2O2S
Average molar mass: 476.7 g/mol
Monoisotopic mass: 476.24974957

Names & identifiers

Preferred name: Androst-4-en-3-one, 17-alpha-hydroxy-17-beta-(2-(p-toluidino)-4-thiazolyl)-
IUPAC: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

17-alpha-Hydroxy-17-beta-(2-(p-toluidino)-4-thiazolyl)androst-4-en-3-one96269-23-7ANDROST-4-EN-3-ONE, 17-alpha-HYDROXY-17-beta-(2-(p-TOLUIDINO)-4-THIAZOLYL)-RefChem:319517DTXSID4091459617-Hydroxy-17-[2-(4-methylanilino)-1,3-thiazol-4-yl]androst-4-en-3-one17alpha-Hydroxy-17beta-[2-(4-methylanilino)-1,3-thiazol-4-yl]androst-4-en-3-one

Database identifiers

CAS: 96269-23-7
PubChem CID: 57040
DTXSID: DTXSID40914596

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 90.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 34
Formal charge: 0
Complexity: 853

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Compound notes

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