Basic information
- Standard SMILES
CC1(C)OC(=O)N(c2ccc(-c3nnc4cc(-c5cncnc5)ccn34)cc2)[C@H]1c1ccccc1- InChIKey
PXYFOOFLFRNRCZ-DEOSSOPVSA-N- Molecular formula
- C27H22N6O2
- Average molar mass
- 462.5 g/mol
Names & identifiers
- Preferred name
- (S)-5,5-dimethyl-4-phenyl-3-(4-(7-(pyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl)oxazolidin-2-one
- IUPAC
- (4S)-5,5-dimethyl-4-phenyl-3-[4-(7-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1,3-oxazolidin-2-one
Names & synonyms
CHEMBL3910537SCHEMBL15272058PXYFOOFLFRNRCZ-DEOSSOPVSA-NBDBM231046US9340549, 66(S)-5,5-dimethyl-4-phenyl-3-(4-(7-(pyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl)oxazolidin-2-one
Database identifiers
- PubChem CID
- 89815367
- ChEMBL
CHEMBL3910537
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
Related reactions
1 records
Compound notes
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