3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V003-3181 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1CC=C)SCc1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7144 |
| logD: | 4.7144 |
| logSw: | -4.4887 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.937 |
| InChI Key: | OBMSTKOXLRPENC-UHFFFAOYSA-N |