4-(5-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(5-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole
4-(5-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-9438 |
| Compound Name: | 4-(5-chloro-2-methylphenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 409.94 |
| Molecular Formula: | C22 H20 Cl N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccco3)n2c2cc(ccc2C)[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6243 |
| logD: | 6.6236 |
| logSw: | -6.3259 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.99 |
| InChI Key: | CYJGCJAEZYMBOH-UHFFFAOYSA-N |