ethyl 4-(2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K822-0388 |
| Compound Name: | ethyl 4-(2-{[4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2cccnc2)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1143 |
| logD: | 4.0847 |
| logSw: | -3.8313 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.39 |
| InChI Key: | LDGAXVBCSNSHKK-UHFFFAOYSA-N |