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

HCID 57230

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 97370-80-4
Standard SMILES: CCN(c1ccccc1)c1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1
InChIKey: AMCODAOHAKUCKB-WKPYSDFXSA-N
Molecular formula: C30H40N2O2S
Average molar mass: 492.7 g/mol
Monoisotopic mass: 492.2810497

Names & identifiers

Preferred name: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(N-ethylanilino)-4-thiazolyl)-
IUPAC: (3S,8R,9S,10R,13S,14S,17R)-17-[2-(N-ethylanilino)-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-(N-Ethylanilino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol97370-80-4Androst-4-ene-3beta,17alpha-diol, 17-(2-(N-ethylanilino)-4-thiazolyl)-ANDROST-4-ENE-3-beta,17-alpha-DIOL, 17-beta-(2-(N-ETHYLANILINO)-4-THIAZOLYL)-RefChem:319540DTXSID20869297NS0012013517beta-{2-[Ethyl(phenyl)amino]-1,3-thiazol-4-yl}androst-4-ene-3beta,17alpha-diol

Database identifiers

CAS: 97370-80-4
PubChem CID: 57230
DTXSID: DTXSID20869297

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 84.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 35
Formal charge: 0
Complexity: 829

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…