Androst-4-en-3-one, 17-beta-(2-anilino-4-thiazolyl)-
Basic information
- CAS
96274-81-6- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(Nc2ccccc2)n1- InChIKey
AQSATGOJKKVKAN-FTIQDDARSA-N- Molecular formula
- C28H34N2OS
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.23918489
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-anilino-4-thiazolyl)-
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-(2-anilino-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-Anilino-4-thiazolyl)-androst-4-en-3-one96274-81-6ANDROST-4-EN-3-ONE, 17-beta-(2-ANILINO-4-THIAZOLYL)-RefChem:319528DTXSID0091459217-[2-(Phenylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-en-3-one17beta-[2-(Phenylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-en-3-one
Database identifiers
- CAS
96274-81-6- PubChem CID
- 57045
- DTXSID
DTXSID00914592
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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