3-{4-benzyl-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Chemical Structure Depiction of
3-{4-benzyl-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
3-{4-benzyl-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Compound characteristics
| Compound ID: | D178-0170 |
| Compound Name: | 3-{4-benzyl-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C17 H16 N4 S |
| Smiles: | C=CCSc1nnc(c2cccnc2)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2903 |
| logD: | 3.2608 |
| logSw: | -3.0635 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.759 |
| InChI Key: | RFWAMMDROFLJTK-UHFFFAOYSA-N |