N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8017-6336 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C15 H13 N5 O3 S |
| Smiles: | C=CCn1cnnc1SCC(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1338 |
| logD: | 1.1152 |
| logSw: | -2.3415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.778 |
| InChI Key: | JXMRIATVLVSJIL-UHFFFAOYSA-N |