2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | IB08-0245 |
| Compound Name: | 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 544.86 |
| Molecular Formula: | C23 H19 Br Cl N5 O2 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CSc1nnc(c2cccnc2)n1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.09 |
| logD: | 5.09 |
| logSw: | -6.13 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.55 |
| InChI Key: | POESUZSUCXXCSV-UHFFFAOYSA-N |