2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V031-3422 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C21 H17 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccco2)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1182 |
| logD: | 4.1182 |
| logSw: | -4.2046 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.237 |
| InChI Key: | GYGGYXABODDHHR-UHFFFAOYSA-N |