N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB07-5801 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 503.38 |
| Molecular Formula: | C23 H17 Cl2 F N4 O2 S |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccc(cc1)[Cl])SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.17 |
| logD: | 6.17 |
| logSw: | -7.1 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.83 |
| InChI Key: | XRVDAJDRARKNEJ-UHFFFAOYSA-N |