4-({2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)-N,N-diethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-({2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)-N,N-diethylbenzene-1-sulfonamide
4-({2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)-N,N-diethylbenzene-1-sulfonamide
Compound characteristics
Compound ID: | C430-0130 |
Compound Name: | 4-({2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)-N,N-diethylbenzene-1-sulfonamide |
Molecular Weight: | 493.58 |
Molecular Formula: | C26 H27 N3 O5 S |
Smiles: | CCN(CC)S(c1ccc(cc1)NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0266 |
logD: | 4.0266 |
logSw: | -4.1253 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.214 |
InChI Key: | BENIXRADJDAYSX-VWLOTQADSA-N |