2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyanilino)-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyanilino)-2,3-dihydro-1H-isoindol-1-one
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyanilino)-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0109 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethoxyanilino)-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C24 H22 N2 O5 |
| Smiles: | COc1ccc(c(c1)NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.006 |
| logD: | 4.006 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.594 |
| InChI Key: | ULTMLNDTGMJNKH-HSZRJFAPSA-N |