N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8017-6337 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 303.3 |
| Molecular Formula: | C12 H9 N5 O3 S |
| Smiles: | C1Oc2cc(C#N)c(cc2O1)NC(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1458 |
| logD: | -0.2087 |
| logSw: | -2.298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.015 |
| InChI Key: | BLDGHABHPPATTF-UHFFFAOYSA-N |