ethyl 5-({1-methyl-4-[(2,4,6-trichlorophenyl)carbamoyl]-1H-1,2,3-triazol-5-yl}sulfanyl)-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-({1-methyl-4-[(2,4,6-trichlorophenyl)carbamoyl]-1H-1,2,3-triazol-5-yl}sulfanyl)-1,2,3-thiadiazole-4-carboxylate
ethyl 5-({1-methyl-4-[(2,4,6-trichlorophenyl)carbamoyl]-1H-1,2,3-triazol-5-yl}sulfanyl)-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y010-1551 |
| Compound Name: | ethyl 5-({1-methyl-4-[(2,4,6-trichlorophenyl)carbamoyl]-1H-1,2,3-triazol-5-yl}sulfanyl)-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 493.78 |
| Molecular Formula: | C15 H11 Cl3 N6 O3 S2 |
| Smiles: | CCOC(c1c(Sc2c(C(Nc3c(cc(cc3[Cl])[Cl])[Cl])=O)nnn2C)snn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7054 |
| logD: | 2.7483 |
| logSw: | -4.072 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.568 |
| InChI Key: | XDHKQBJHJATJMH-UHFFFAOYSA-N |