2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0344 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C21 H18 Cl N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2c2ccccc2)SCC(Nc2ccc(C)c(c2)[Cl])=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2638 |
| logD: | 4.2634 |
| logSw: | -4.4215 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.152 |
| InChI Key: | LQYVKUQDFQBSMW-UHFFFAOYSA-N |