ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G731-0742 |
| Compound Name: | ethyl 4-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4445 |
| logD: | 2.2528 |
| logSw: | -3.5995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.921 |
| InChI Key: | XRJXNCYGGFLLRS-UHFFFAOYSA-N |