3-(3,4-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-8470 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C24 H23 N3 O3 S |
| Smiles: | COc1ccc(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5953 |
| logD: | 4.5953 |
| logSw: | -4.4883 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.517 |
| InChI Key: | YDWCDJWXNRWYIP-UHFFFAOYSA-N |