ethyl 1-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
ethyl 1-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G731-0625 |
| Compound Name: | ethyl 1-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0186 |
| logD: | 0.8268 |
| logSw: | -2.4356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.164 |
| InChI Key: | DLSUQCGIORSAGI-UHFFFAOYSA-N |