N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | E612-1237 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Molecular Weight: | 511.68 |
| Molecular Formula: | C28 H37 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(C(CCS(C)(=O)=O)N2Cc3ccccc3C2=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2262 |
| logD: | 0.9489 |
| logSw: | -3.5826 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.406 |
| InChI Key: | IGBODBQMTGONNW-SANMLTNESA-N |