Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1- InChIKey
YLJKQCYGIYXACC-UHFFFAOYSA-N- Molecular formula
- C27H24Cl2F3N3O5
- Average molar mass
- 598.4 g/mol
Names & identifiers
- Preferred name
- 2-({[2-[(4-{[(Tert-butoxycarbonyl)amino]methyl}phenyl)amino]-5-(trifluoromethyl)phenyl]amino}carbonyl)-4,5-dichlorobenzoic acid
- IUPAC
- 4,5-dichloro-2-[[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
Names & synonyms
2-({[2-[(4-{[(tert-butoxycarbonyl)amino]methyl}phenyl)amino]-5-(trifluoromethyl)phenyl]amino}carbonyl)-4,5-dichlorobenzoic acidSCHEMBL61413432-({[2-[(4{[(tert-butoxycarbonyl)amino]methyl}phenyl)amino]-5-(trifluoromethyl)phenyl]amino}carbonyl)-4,5-dichlorobenzoic acid
Database identifiers
- PubChem CID
- 22339359
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 896
Related reactions
2 records
Compound notes
Loading…