ethyl 4-({4-[3-(trifluoromethyl)anilino]piperidine-1-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[3-(trifluoromethyl)anilino]piperidine-1-carbothioyl}amino)benzoate
ethyl 4-({4-[3-(trifluoromethyl)anilino]piperidine-1-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8018-4972 |
| Compound Name: | ethyl 4-({4-[3-(trifluoromethyl)anilino]piperidine-1-carbothioyl}amino)benzoate |
| Molecular Weight: | 451.51 |
| Molecular Formula: | C22 H24 F3 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCC(CC1)Nc1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8035 |
| logD: | 5.8029 |
| logSw: | -5.6532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.658 |
| InChI Key: | QBMBRSFLCARSOE-UHFFFAOYSA-N |