N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
Compound ID: | E612-1101 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
Molecular Weight: | 430.48 |
Molecular Formula: | C21 H22 N2 O6 S |
Smiles: | CS(CCC(C(NCc1ccc2c(c1)OCO2)=O)N1Cc2ccccc2C1=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.9912 |
logD: | 0.9912 |
logSw: | -2.5907 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.789 |
InChI Key: | RHCSTVMQDHONJR-KRWDZBQOSA-N |