benzyl {[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V016-8267 |
| Compound Name: | benzyl {[5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccco2)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5767 |
| logD: | 4.5759 |
| logSw: | -4.6355 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.524 |
| InChI Key: | KNTKYHIVYLAGCZ-UHFFFAOYSA-N |