(17beta)-7-methyl-3-oxo-N-[2-(trifluoromethyl)phenyl]androst-5-ene-17-carboxamide
Basic information
- Standard SMILES
CC1C=C2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4ccccc4C(F)(F)F)CC[C@H]3[C@H]12- InChIKey
TWFRXCVTYVEPLR-RLVCWICPSA-N- Molecular formula
- C28H34F3NO2
- Average molar mass
- 473.6 g/mol
Names & identifiers
- Preferred name
- (17beta)-7-methyl-3-oxo-N-[2-(trifluoromethyl)phenyl]androst-5-ene-17-carboxamide
- IUPAC
- (8S,9S,10R,13S,14S,17S)-7,10,13-trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
Names & synonyms
(17beta)-7-methyl-3-oxo-N-[2-(trifluoromethyl)phenyl]androst-5-ene-17-carboxamideSCHEMBL4980515
Database identifiers
- PubChem CID
- 69266012
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 881
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Related reactions
2 records
Compound notes
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