N-(2H-1,3-benzodioxol-5-yl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Compound characteristics
| Compound ID: | C447-0226 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | C(c1cccnc1)N1Cc2cccc(C(Nc3ccc4c(c3)OCO4)=O)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.2305 |
| logD: | 2.2289 |
| logSw: | -2.9116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.609 |
| InChI Key: | AAUFIERBXVEOEY-UHFFFAOYSA-N |