N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Compound characteristics
| Compound ID: | C447-0314 |
| Compound Name: | N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C27 H29 N5 O2 |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1)NC(c1cccc2CN(Cc3cccnc3)C(c12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4378 |
| logD: | 1.7524 |
| logSw: | -2.6208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.483 |
| InChI Key: | WNRAZFYGDOGGKR-UHFFFAOYSA-N |