N-benzyl-N-butyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
Chemical Structure Depiction of
N-benzyl-N-butyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
N-benzyl-N-butyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
Compound characteristics
| Compound ID: | C082-0044 |
| Compound Name: | N-benzyl-N-butyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C22 H26 N2 O3 |
| Smiles: | CCCCN(Cc1ccccc1)C(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3862 |
| logD: | 2.3862 |
| logSw: | -2.5482 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.27 |
| InChI Key: | SZKGRJIVCQNTEH-UHFFFAOYSA-N |