Basic information
- CAS
98274-59-0- Standard SMILES
CCN(c1ccccc1)c1nc([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cs1- InChIKey
PXYRXISDWXEDAZ-XLQNIAEWSA-N- Molecular formula
- C30H38N2OS
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.27048501
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-(N-ethylanilino)-4-thiazolyl)-
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-[2-(N-ethylanilino)-1,3-thiazol-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
17-beta-(2-(N-Ethylanilino)-4-thiazolyl)androst-4-en-3-one98274-59-0ANDROST-4-EN-3-ONE, 17-beta-(2-(N-ETHYLANILINO)-4-THIAZOLYL)-RefChem:319523DTXSID0091334817-{2-[Ethyl(phenyl)amino]-1,3-thiazol-4-yl}androst-4-en-3-one17beta-{2-[Ethyl(phenyl)amino]-1,3-thiazol-4-yl}androst-4-en-3-one
Database identifiers
- CAS
98274-59-0- PubChem CID
- 57352
- DTXSID
DTXSID00913348
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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