methyl 4-({3-oxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-oxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzoate
methyl 4-({3-oxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | C430-5186 |
| Compound Name: | methyl 4-({3-oxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}amino)benzoate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | COC(c1ccc(cc1)NC(c1cccc2CN(CC3CCCO3)C(c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.521 |
| logD: | 2.5173 |
| logSw: | -2.9649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.804 |
| InChI Key: | JHPJGCXNXOEVBT-QGZVFWFLSA-N |