3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V009-9869 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2c2ccc(cc2)OC)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.3169 |
| logD: | 6.3169 |
| logSw: | -5.5758 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.344 |
| InChI Key: | HKEDGKDBVRFFGC-UHFFFAOYSA-N |