ethyl 2-(3-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}propanamido)-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}propanamido)-4-(4-methylphenyl)thiophene-3-carboxylate
ethyl 2-(3-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}propanamido)-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5867-4146 |
| Compound Name: | ethyl 2-(3-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}propanamido)-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 583.15 |
| Molecular Formula: | C27 H23 Cl N4 O3 S3 |
| Smiles: | CCOC(c1c(csc1NC(CCSc1nnc2n1c(cs2)c1ccc(cc1)[Cl])=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8537 |
| logD: | 6.8286 |
| logSw: | -6.362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.211 |
| InChI Key: | XJXYRNFUVKRDFI-UHFFFAOYSA-N |