Basic information
- CAS
95440-99-6- Standard SMILES
CNc1nc([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cs1- InChIKey
QXMDNFHOPKWABW-XAFQUIJGSA-N- Molecular formula
- C23H32N2OS
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.22353482
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-(methylamino)-4-thiazolyl)-
- IUPAC
- (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[2-(methylamino)-1,3-thiazol-4-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
17-beta-(2-(Methylamino)-4-thiazolyl)androst-4-en-3-one95440-99-6ANDROST-4-EN-3-ONE, 17-beta-(2-(METHYLAMINO)-4-THIAZOLYL)-RefChem:319522DTXSID8091499917-[2-(Methylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-en-3-one17beta-[2-(Methylimino)-2,3-dihydro-1,3-thiazol-4-yl]androst-4-en-3-one
Database identifiers
- CAS
95440-99-6- PubChem CID
- 56899
- DTXSID
DTXSID80914999
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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