N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
Compound characteristics
| Compound ID: | V007-9039 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}heptanamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | CCCCCCC(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.688 |
| logD: | 6.688 |
| logSw: | -5.5771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.454 |
| InChI Key: | RRQXJWWLLQVEOV-UHFFFAOYSA-N |