N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8017-5858 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C14 H13 N5 O3 S |
| Smiles: | CCn1cnnc1SCC(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9161 |
| logD: | 0.8975 |
| logSw: | -2.3105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.524 |
| InChI Key: | WOZMESKINFTDJM-UHFFFAOYSA-N |