2-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione
2-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8019-1851 |
| Compound Name: | 2-({5-[(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C22 H20 N2 O7 |
| Smiles: | COc1c(CC2CC(CN3C(c4ccccc4C3=O)=O)=NO2)cc2c(c1OC)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1582 |
| logD: | 3.1582 |
| logSw: | -3.4885 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.465 |
| InChI Key: | BIDFMHDDKJKKRU-CQSZACIVSA-N |