Basic information
- Standard SMILES
COc1ccc(C(C)(C)NC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C=C(C(=O)O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1- InChIKey
FXLFYKZNMBHQRS-RVKYSODGSA-N- Molecular formula
- C31H41NO4
- Average molar mass
- 491.7 g/mol
Names & identifiers
- Preferred name
- 17beta-{N-[1-(4-Methoxyphenyl)-1-methylethyl]carbamoyl}androsta-3,5-diene-3-carboxylic acid
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-[2-(4-methoxyphenyl)propan-2-ylcarbamoyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Names & synonyms
SCHEMBL8637496FXLFYKZNMBHQRS-RVKYSODGSA-N17beta-{N-[1-(4-Methoxyphenyl)-1-methylethyl]carbamoyl}androsta-3,5-diene-3-carboxylic acid
Database identifiers
- PubChem CID
- 15380264
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 958
Related reactions
2 records
Compound notes
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