ethyl 3-[(2RS)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[(2RS)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate
ethyl 3-[(2RS)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | C561-0488 |
| Compound Name: | ethyl 3-[(2RS)-4-(methanesulfonyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]benzoate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CCOC(c1cccc(c1)NC([C@H](CCS(C)(=O)=O)N1Cc2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2595 |
| logD: | 2.2595 |
| logSw: | -3.0962 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.105 |
| InChI Key: | YWIAOJXTMQRRPN-IBGZPJMESA-N |