N-[4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0132 |
| Compound Name: | N-[4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 364.81 |
| Molecular Formula: | C14 H13 Cl N6 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCc2ccc(cc2)[Cl])non1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3418 |
| logD: | 2.3371 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.341 |
| InChI Key: | ORROXHXRNSSYBI-UHFFFAOYSA-N |