N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L849-0756 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C24 H24 N6 O4 S |
| Smiles: | Cn1c(c2cn(C)nc2c2cccc(c2)OC)nnc1SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5807 |
| logD: | 2.5807 |
| logSw: | -2.969 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.266 |
| InChI Key: | STSVSJAMLYKQJQ-UHFFFAOYSA-N |