2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V013-7849 |
| Compound Name: | 2-{[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(Cc2ccccc2)nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.889 |
| logD: | 4.889 |
| logSw: | -4.6995 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.179 |
| InChI Key: | OOMACRVISIFJGU-UHFFFAOYSA-N |