N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Compound characteristics
| Compound ID: | C447-0278 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | CCOc1ccc(CCNC(c2cccc3CN(Cc4cccnc4)C(c23)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.3029 |
| logD: | 2.3029 |
| logSw: | -2.7005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.078 |
| InChI Key: | DYFGDJGYELAHRS-UHFFFAOYSA-N |