3-(2-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(2-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(2-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5827 |
| Compound Name: | 3-(2-methoxyphenyl)-5-{[(3-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: | Cc1cccc(CSc2nnc(c3ccccc3OC)n2CC=C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.889 |
| logD: | 4.889 |
| logSw: | -4.7253 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.85 |
| InChI Key: | YPHUXIZUZNNJDP-UHFFFAOYSA-N |