N-[4-(diethylamino)-2-methylphenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
N-[4-(diethylamino)-2-methylphenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
Compound characteristics
| Compound ID: | K978-0170 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2222 |
| logD: | 2.0129 |
| logSw: | -2.8193 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.524 |
| InChI Key: | AHABIZVPPZZDTR-UHFFFAOYSA-N |