3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V001-2060 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.517 |
| logD: | 5.5169 |
| logSw: | -5.5125 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.672 |
| InChI Key: | BMIPPLOFOFUJQL-UHFFFAOYSA-N |