Basic information
- CAS
95872-06-3- Standard SMILES
CC(C)Nc1nc([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cs1- InChIKey
CFMGDMFPQAVEBN-MWGRHRFLSA-N- Molecular formula
- C25H36N2O2S
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.24974957
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-alpha-hydroxy-17-beta-(2-(isopropylamino)-4-thiazolyl)-
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
Androst-4-en-3-one, 17alpha-hydroxy-17-(2-(isopropylamino)-4-thiazolyl)-95872-06-317-alpha-Hydroxy-17-beta-(2-(isopropylamino)-4-thiazolyl)androst-4-en-3-oneANDROST-4-EN-3-ONE, 17-alpha-HYDROXY-17-beta-(2-(ISOPROPYLAMINO)-4-THIAZOLYL)-RefChem:319513DTXSID8091477717-Hydroxy-17-{2-[(propan-2-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-en-3-one17alpha-Hydroxy-17beta-{2-[(propan-2-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl}androst-4-en-3-one
Database identifiers
- CAS
95872-06-3- PubChem CID
- 56972
- DTXSID
DTXSID80914777
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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