ethyl 4,5-dimethyl-2-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8016-2520 |
| Compound Name: | ethyl 4,5-dimethyl-2-(2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C18 H19 N5 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc(c2ccncc2)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2459 |
| logD: | 0.1537 |
| logSw: | -2.4533 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.599 |
| InChI Key: | WYSUWXZFBVLPCP-UHFFFAOYSA-N |