ethyl 4-(2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G856-7810 |
| Compound Name: | ethyl 4-(2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2ccc(cc2)OC)n1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5447 |
| logD: | 4.5446 |
| logSw: | -4.2251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.593 |
| InChI Key: | GOYHKASFHCVZLD-UHFFFAOYSA-N |