N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide
Compound characteristics
| Compound ID: | V009-9256 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}heptanamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | CCCCCCC(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3716 |
| logD: | 5.3716 |
| logSw: | -5.1985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.499 |
| InChI Key: | QNBFXDFHBWCDJQ-UHFFFAOYSA-N |