ethyl 1-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
ethyl 1-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G731-0269 |
| Compound Name: | ethyl 1-({[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate |
| Molecular Weight: | 408.91 |
| Molecular Formula: | C18 H21 Cl N4 O3 S |
| Smiles: | CCOC(C1CCN(CC1)C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3048 |
| logD: | 1.1131 |
| logSw: | -3.3872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.62 |
| InChI Key: | XPSPFBMFJCQPRC-UHFFFAOYSA-N |