methyl 2-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G731-0724 |
| Compound Name: | methyl 2-(2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5677 |
| logD: | 1.376 |
| logSw: | -3.1415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.643 |
| InChI Key: | GEMANTQLNQAPPQ-UHFFFAOYSA-N |