Basic information
- Standard SMILES
COc1ccc(C(C)(C)CO)cc1-c1ccc(Cl)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C- InChIKey
PMSNSVZGAQGTGZ-MQNRADLISA-N- Molecular formula
- C29H27ClF6N2O4
- Average molar mass
- 617 g/mol
- Monoisotopic mass
- 616.156354
Names & identifiers
- Preferred name
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-({6-chloro-3-[5-(2-hydroxy-1,1-dimethylethyl)-2-methoxyphenyl]pyridin-2-yl}methyl)-4-methyl-1,3-oxazolidin-2-one
- IUPAC
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[6-chloro-3-[5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenyl]-2-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Names & synonyms
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-({6-chloro-3-[5-(2-hydroxy-1,1-dimethylethyl)-2-methoxyphenyl]pyridin-2-yl}methyl)-4-methyl-1,3-oxazolidin-2-oneSCHEMBL1506521
Database identifiers
- PubChem CID
- 24969645
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 915
Related reactions
1 records
Compound notes
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