1-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzofuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzofuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzofuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8020-5926 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzofuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C20 H16 N2 O4 |
| Smiles: | CC(N1C(CC(c2cc3ccccc3o2)=N1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.33 |
| logD: | 4.33 |
| logSw: | -4.3781 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.262 |
| InChI Key: | XPGTXBNXHHXKMX-INIZCTEOSA-N |