Androst-4-en-3-one, 17-beta-(2-(cyclohexylamino)-4-thiazolyl)-17-alpha-hydroxy-
Basic information
- CAS
96274-75-8- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)c1csc(NC2CCCCC2)n1- InChIKey
MIXIOVZGYFHQGQ-FPDMQFDYSA-N- Molecular formula
- C28H40N2O2S
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.2810497
Names & identifiers
- Preferred name
- Androst-4-en-3-one, 17-beta-(2-(cyclohexylamino)-4-thiazolyl)-17-alpha-hydroxy-
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
BRN 540597917-beta-(2-(Cyclohexylamino)-4-thiazolyl)-17-alpha-hydroxyandrost-4-en-3-one96274-75-8ANDROST-4-EN-3-ONE, 17-beta-(2-(CYCLOHEXYLAMINO)-4-THIAZOLYL)-17-alpha-HYDROXY-RefChem:319520DTXSID6091459317-[2-(Cyclohexylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17-hydroxyandrost-4-en-3-one17beta-[2-(Cyclohexylimino)-2,3-dihydro-1,3-thiazol-4-yl]-17alpha-hydroxyandrost-4-en-3-one
Database identifiers
- CAS
96274-75-8- PubChem CID
- 57044
- DTXSID
DTXSID60914593
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 825
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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