N-[4-(5-{[(2-cyanophenyl)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-{[(2-cyanophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[(2-cyanophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | 8018-9506 |
| Compound Name: | N-[4-(5-{[(2-cyanophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 355.38 |
| Molecular Formula: | C15 H13 N7 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCc2ccccc2C#N)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8271 |
| logD: | 1.8223 |
| logSw: | -2.652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.397 |
| InChI Key: | PUCUNSAGFBOWBM-UHFFFAOYSA-N |