Basic information
- Standard SMILES
COc1cc([C@@H](C)NC2CC[C@H](c3ccc(C(=O)N4CCOCC4)cc3)C2)ccc1F- InChIKey
CEHXETJSVDDUKQ-HWWMDGIVSA-N- Molecular formula
- C25H31FN2O3
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- [4-[(1S,3R/S)-3-[[(1R)-1-(4-fluoro-3-methoxy-phenyl)ethyl]amino]-cyclopentyl]phenyl]-morpholino-methanone
- IUPAC
- [4-[(1S)-3-[[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]cyclopentyl]phenyl]-morpholin-4-ylmethanone
Names & synonyms
SCHEMBL6805623CEHXETJSVDDUKQ-HWWMDGIVSA-N[4-[(1S,3R/S)-3-[[(1R)-1-(4-fluoro-3-methoxy-phenyl)ethyl]amino]-cyclopentyl]phenyl]-morpholino-methanone
Database identifiers
- PubChem CID
- 69901892
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 577
Related reactions
1 records
Compound notes
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