2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V005-6115 |
| Compound Name: | 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C23 H20 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCC(c1cc(ccc1OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0343 |
| logD: | 5.0342 |
| logSw: | -5.1177 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.411 |
| InChI Key: | CQVDUZRXFBDEDQ-UHFFFAOYSA-N |