Basic information
- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1- InChIKey
IVHZOTTYRXGBFN-QQXXBIGFSA-N- Molecular formula
- C34H39NO3
- Average molar mass
- 509.7 g/mol
Names & identifiers
- Preferred name
- 17beta-[N-(Diphenylmethyl)carbamoyl]androsta-3,5-diene-3-carboxylic acid
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-(benzhydrylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Names & synonyms
SCHEMBL8915261IVHZOTTYRXGBFN-QQXXBIGFSA-N17beta-[N-(Diphenylmethyl)carbamoyl]androsta-3,5-diene-3-carboxylic acid17beta[N-(Diphenylmethyl)carbamoyl]androsta-3,5-diene-3-carboxylic acid
Database identifiers
- PubChem CID
- 15380256
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 968
Related reactions
7 records
Compound notes
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