methyl 2-[(4-{[4-(trifluoromethyl)phenyl]methyl}piperidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{[4-(trifluoromethyl)phenyl]methyl}piperidine-1-carbonyl)amino]benzoate
methyl 2-[(4-{[4-(trifluoromethyl)phenyl]methyl}piperidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | V009-4535 |
| Compound Name: | methyl 2-[(4-{[4-(trifluoromethyl)phenyl]methyl}piperidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 420.43 |
| Molecular Formula: | C22 H23 F3 N2 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCC(CC1)Cc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4264 |
| logD: | 5.4256 |
| logSw: | -5.559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.912 |
| InChI Key: | TXQAFGZLXAQJQU-UHFFFAOYSA-N |