Basic information
- Standard SMILES
COc1ccc(C(C)(C)NC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C=C(C#N)CC[C@]5(C)[C@H]4CC[C@]23C)cc1- InChIKey
OXBGQKSZSSJUJH-SCOJNZJKSA-N- Molecular formula
- C31H40N2O2
- Average molar mass
- 472.7 g/mol
Names & identifiers
- Preferred name
- N-[1-(4-methoxyphenyl)-1-methylethyl]-3-cyanoandrosta-3,5-diene-17beta-carboxamide
- IUPAC
- (8S,9S,10R,13S,14S,17S)-3-cyano-N-[2-(4-methoxyphenyl)propan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
Names & synonyms
SCHEMBL8630741OXBGQKSZSSJUJH-SCOJNZJKSA-NN-[1-(4-methoxyphenyl)-1-methylethyl]-3-cyanoandrosta-3,5-diene-17beta-carboxamide
Database identifiers
- PubChem CID
- 15380263
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 962
Related reactions
6 records
Compound notes
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