Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-anilino-4-thiazolyl)-

HCID 57152

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Basic information

CAS: 96996-84-8
Standard SMILES: C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)c1csc(Nc2ccccc2)n1
InChIKey: ZAVNZJZVTKGGII-RSFKWRCVSA-N
Molecular formula: C28H36N2O2S
Average molar mass: 464.7 g/mol
Monoisotopic mass: 464.24974957

Names & identifiers

Preferred name: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-anilino-4-thiazolyl)-
IUPAC: (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

Names & synonyms

17-beta-(2-Anilino-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol96996-84-8ANDROST-4-ENE-3-beta,17-alpha-DIOL, 17-beta-(2-ANILINO-4-THIAZOLYL)-RefChem:319543DTXSID4091423317-[2-(Phenylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3,17-diol17beta-[2-(Phenylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-ene-3beta,17alpha-diol

Database identifiers

CAS: 96996-84-8
PubChem CID: 57152
DTXSID: DTXSID40914233

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 93.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 33
Formal charge: 0
Complexity: 784

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