methyl 4-[4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 4-[4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate
methyl 4-[4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E612-1203 |
| Compound Name: | methyl 4-[4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C21 H22 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(C(CCS(C)(=O)=O)N1Cc2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5683 |
| logD: | 1.568 |
| logSw: | -2.587 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.525 |
| InChI Key: | XBJJHBOTKIHGJC-SFHVURJKSA-N |