Basic information
- Standard SMILES
COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(C)cc4o3)c(F)c2)cc1- InChIKey
PFSXINWETWNMNF-NHCUHLMSSA-N- Molecular formula
- C28H25FN2O4
- Average molar mass
- 472.5 g/mol
Names & identifiers
- Preferred name
- methyl (1R,2R)-2-({3'-fluoro-4'-[(6-methyl-1,3-benzoxazol-2-yl)amino]-1,1'-biphenyl-4-yl}carbonyl)-cyclopentanecarboxylate
- IUPAC
- trans-methyl (1R,2R)-2-[4-[3-fluoro-4-[(6-methyl-1,3-benzoxazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL1748237PFSXINWETWNMNF-NHCUHLMSSA-Nmethyl (1R,2R)-2-({3'-fluoro-4'-[(6-methyl-1,3-benzoxazol-2-yl)amino]-1,1'-biphenyl-4-yl}carbonyl)-cyclopentanecarboxylate
Database identifiers
- PubChem CID
- 67147332
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 757
Related reactions
8 records
Compound notes
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