ethyl 1-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}piperidine-3-carboxylate
ethyl 1-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C097-0299 |
| Compound Name: | ethyl 1-{[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}piperidine-3-carboxylate |
| Molecular Weight: | 422.79 |
| Molecular Formula: | C17 H18 Cl F3 N2 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8596 |
| logD: | 3.4577 |
| logSw: | -4.4382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.486 |
| InChI Key: | SYKLQYCTRSITGN-UHFFFAOYSA-N |