N-(4-{5-[(3-cyanopropyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
Chemical Structure Depiction of
N-(4-{5-[(3-cyanopropyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
N-(4-{5-[(3-cyanopropyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide
Compound characteristics
| Compound ID: | D291-0238 |
| Compound Name: | N-(4-{5-[(3-cyanopropyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-1,2,5-oxadiazol-3-yl)acetamide |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C11 H13 N7 O2 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCCCC#N)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0125 |
| logD: | 0.0078 |
| logSw: | -1.605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.104 |
| InChI Key: | JZNYMPVOEVZOJO-UHFFFAOYSA-N |