Basic information
- Standard SMILES
COc1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccc(F)cc4)OC3=O)cc2)cn1- InChIKey
YVGHFCWWZWYPHQ-VKGTZQKMSA-N- Molecular formula
- C28H31FN2O4
- Average molar mass
- 478.6 g/mol
Names & identifiers
- Preferred name
- (S)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(6-methoxypyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
- IUPAC
- (6S)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL958963YVGHFCWWZWYPHQ-VKGTZQKMSA-N(S)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(6-methoxypyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 44625845
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 705
Related reactions
2 records
Compound notes
Loading…