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Basic information
- Standard SMILES
O=C(N[C@@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)O)c1cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2cn1- InChIKey
PWUGDTSDZZSVIA-LJAQVGFWSA-N- Molecular formula
- C32H21ClF4N2O4
- Average molar mass
- 609 g/mol
- Monoisotopic mass
- 608.1125975
Names & identifiers
- Preferred name
- 3-(3'-Chloro-4'-fluoro-biphenyl-4-yl)-(2S)-{[6-(4-trifluoromethyl-phenoxy)-isoquinoline-3-carbonyl]-amino}-propionic acid
- IUPAC
- (2S)-3-[4-(3-chloro-4-fluorophenyl)phenyl]-2-[[6-[4-(trifluoromethyl)phenoxy]isoquinoline-3-carbonyl]amino]propanoic acid
Names & synonyms
3-(3'-Chloro-4'-fluoro-biphenyl-4-yl)-(2S)-{[6-(4-trifluoromethyl-phenoxy)-isoquinoline-3-carbonyl]-amino}-propionic acidSCHEMBL3992281
Database identifiers
- PubChem CID
- 57717857
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 941
Related reactions
1 records
Compound notes
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