Basic information
- Standard SMILES
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nc(CN(C(=O)c3ccc(C(F)(F)F)cc3)c3ccc(O)c(C(=O)O)c3)cs2)cc1- InChIKey
LFFPQQXFGADOTH-UHFFFAOYSA-N- Molecular formula
- C39H28F3N3O6S
- Average molar mass
- 723.7 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-5-{{[2-(4-{[(4-phenoxybenzyl)amino]carbonyl}phenyl)-1,3-thiazol-4-yl]methyl}[4-(trifluoromethyl)benzoyl]amino}benzoic acid
- IUPAC
- 2-hydroxy-5-[[2-[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]-1,3-thiazol-4-yl]methyl-[4-(trifluoromethyl)benzoyl]amino]benzoic acid
Names & synonyms
2-hydroxy-5-{{[2-(4-{[(4-phenoxybenzyl)amino]carbonyl}phenyl)-1,3-thiazol-4-yl]methyl}[4-(trifluoromethyl)benzoyl]amino}benzoic acidSCHEMBL2467885
Database identifiers
- PubChem CID
- 11297104
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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