N-benzyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-benzyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
N-benzyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D027-0018 |
| Compound Name: | N-benzyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C25 H24 N2 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(C(Cc2ccccc2)C(NCc2ccccc2)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7828 |
| logD: | 2.7828 |
| logSw: | -3.1595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.675 |
| InChI Key: | WFMOHGIYKDRBIU-UHFFFAOYSA-N |