N-(2,3-dimethylphenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
N-(2,3-dimethylphenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
Compound characteristics
Compound ID: | C082-0008 |
Compound Name: | N-(2,3-dimethylphenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide |
Molecular Weight: | 324.38 |
Molecular Formula: | C19 H20 N2 O3 |
Smiles: | Cc1cccc(c1C)NC(CN1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.0755 |
logD: | 2.0755 |
logSw: | -2.5076 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.787 |
InChI Key: | GKLQGBCMLNLWKC-UHFFFAOYSA-N |