3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-8738 |
| Compound Name: | 3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-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(c1)c1nnc(n1CC=C)SCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7174 |
| logD: | 4.7174 |
| logSw: | -4.6368 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.763 |
| InChI Key: | HYIKMDVTXKBFJC-UHFFFAOYSA-N |