2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | IB01-3089 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 486.93 |
| Molecular Formula: | C23 H17 Cl F2 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(cc1)[Cl])SCC(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 5.71 |
| logSw: | -6.75 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.57 |
| InChI Key: | FYDUQIKIYDXZHT-UHFFFAOYSA-N |