2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0110 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-chloro-4-methoxyanilino)-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C23 H19 Cl N2 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4923 |
| logD: | 4.4923 |
| logSw: | -4.578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.748 |
| InChI Key: | KCTDEDVFNJEEQC-QFIPXVFZSA-N |