3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V007-2246 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc(c(c3)OC)OC)n2CC=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4116 |
| logD: | 4.4116 |
| logSw: | -4.3533 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.48 |
| InChI Key: | GXBQBAPGZAILBP-UHFFFAOYSA-N |