1-(N-{[2-chloro-6-(trifluoromethyl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(N-{[2-chloro-6-(trifluoromethyl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
1-(N-{[2-chloro-6-(trifluoromethyl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | V002-8943 |
| Compound Name: | 1-(N-{[2-chloro-6-(trifluoromethyl)phenyl]carbamoyl}-beta-alanyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide |
| Molecular Weight: | 526.94 |
| Molecular Formula: | C24 H26 Cl F3 N4 O4 |
| Smiles: | COc1ccc(cc1)NC(C1CCN(CC1)C(CCNC(Nc1c(cccc1[Cl])C(F)(F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0931 |
| logD: | 3.093 |
| logSw: | -3.6972 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.337 |
| InChI Key: | CDEWIAQPFXENRH-UHFFFAOYSA-N |