Basic information
- Standard SMILES
CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O- InChIKey
MDLBAXSAEJMMKS-UHFFFAOYSA-N- Molecular formula
- C30H25ClF6N2O3S
- Average molar mass
- 643 g/mol
- Monoisotopic mass
- 642.1178605
Names & identifiers
- Preferred name
- 2-[4-(2-{[2,4-Bis(trifluoromethyl)benzyl][4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino}ethyl)phenoxy]-2-methylpropanoic acid
- IUPAC
- 2-[4-[2-[[2,4-bis(trifluoromethyl)phenyl]methyl-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]phenoxy]-2-methylpropanoic acid
Names & synonyms
2-[4-(2-{[2,4-Bis(trifluoromethyl)benzyl][4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino}ethyl)phenoxy]-2-methylpropanoic acidSCHEMBL4576168
Database identifiers
- PubChem CID
- 59643157
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 917
Related reactions
1 records
Compound notes
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