2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-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-phenylethan-1-one
2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V006-1811 |
| Compound Name: | 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C21 H16 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccco2)nnc1SCC(c1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8168 |
| logD: | 4.8168 |
| logSw: | -4.8368 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.237 |
| InChI Key: | GZXXGVIYUJRAFF-UHFFFAOYSA-N |