2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0122 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C23 H20 N2 O4 |
| Smiles: | COc1cccc(c1)NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0481 |
| logD: | 4.0481 |
| logSw: | -4.2293 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | UICPUKJCOXTFPB-JOCHJYFZSA-N |