Basic information
- Standard SMILES
COC(=O)C1=CC2=CC[C@H]3[C@@H]4CC[C@H](C(=O)NC(c5ccccc5)c5ccccc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1- InChIKey
QVUWAUYMAUEKOW-FVTPAXNCSA-N- Molecular formula
- C35H41NO3
- Average molar mass
- 523.7 g/mol
Names & identifiers
- Preferred name
- Methyl 17beta-[N-(diphenylmethyl)carbamoyl]androsta-3,5-diene-3-carboxylate
- IUPAC
- methyl (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-carboxylate
Names & synonyms
SCHEMBL8631670QVUWAUYMAUEKOW-FVTPAXNCSA-NMethyl 17beta-[N-(diphenylmethyl)carbamoyl]androsta-3,5-diene-3-carboxylate
Database identifiers
- PubChem CID
- 15380280
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 983
Related reactions
4 records
Compound notes
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