ethyl 2-(2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-(2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | C592-4031 |
| Compound Name: | ethyl 2-(2-{[5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C20 H22 N6 O3 S2 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc(c3ccc(cc3)N)n2CC=C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0677 |
| logD: | 3.0253 |
| logSw: | -3.2189 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.551 |
| InChI Key: | LWFCSZVADVLGHZ-UHFFFAOYSA-N |