3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | F368-0536 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C29 H27 N3 O5 |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCc1cn(c2ccccc2)nc1c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.205 |
| logD: | 4.205 |
| logSw: | -4.2179 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.173 |
| InChI Key: | HTCOUNZUZVGACV-IBGZPJMESA-N |