3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-3540 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3ccco3)n2c2ccccc2OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3435 |
| logD: | 5.3422 |
| logSw: | -5.3464 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.62 |
| InChI Key: | LSUGRDJYADEUHK-UHFFFAOYSA-N |