methyl 4-{[3-oxo-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-oxo-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
methyl 4-{[3-oxo-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | C430-0394 |
| Compound Name: | methyl 4-{[3-oxo-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C21 H17 N3 O3 |
| Smiles: | COC(c1ccc(cc1)NC1c2ccccc2C(N1c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.288 |
| logD: | 3.288 |
| logSw: | -3.4884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.082 |
| InChI Key: | PQOUCZACMFPHDY-LJQANCHMSA-N |