4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V030-7545 |
| Compound Name: | 4-(5-chloro-2-methylphenyl)-3-(furan-2-yl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C21 H18 Cl N3 O S |
| Smiles: | Cc1cccc(CSc2nnc(c3ccco3)n2c2cc(ccc2C)[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0433 |
| logD: | 6.0432 |
| logSw: | -6.1594 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.99 |
| InChI Key: | YWCIJSQRFUVHOO-UHFFFAOYSA-N |