ethyl 2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
ethyl 2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | V007-6006 |
| Compound Name: | ethyl 2-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C21 H17 Cl N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CCOC(c1csc(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1303 |
| logD: | 5.1303 |
| logSw: | -5.3773 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.967 |
| InChI Key: | STBJEHNAMWAIDX-UHFFFAOYSA-N |