3-(4-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(4-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5609 |
| Compound Name: | 3-(4-methoxyphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1CSc1nnc(c2ccc(cc2)OC)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 5.4258 |
| logD: | 5.4258 |
| logSw: | -5.5279 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.763 |
| InChI Key: | HTFCRUONWWMTAK-UHFFFAOYSA-N |