2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D291-0210 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 421.86 |
| Molecular Formula: | C16 H16 Cl N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2cc(ccc2C)[Cl])=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8797 |
| logD: | 1.875 |
| logSw: | -2.9182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.792 |
| InChI Key: | ABRXQXMEMDZSTM-UHFFFAOYSA-N |