ethyl 4-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C592-3881 |
| Compound Name: | ethyl 4-(2-{[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C18 H20 N6 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2c(C)nc(N)s2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.81 |
| logD: | 2.7856 |
| logSw: | -3.2256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.334 |
| InChI Key: | QIIORIXIQCNIKR-UHFFFAOYSA-N |