rel-(3aR,7aS)-2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0011 |
| Compound Name: | rel-(3aR,7aS)-2-(3-acetylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 283.32 |
| Molecular Formula: | C17 H17 N O3 |
| Smiles: | CC1C=CC[C@H]2C(N(C([C@@H]12)=O)c1cccc(c1)C(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3624 |
| logD: | 1.3624 |
| logSw: | -2.3602 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.899 |
| InChI Key: | CNRQOXVGJOGGAK-UHFFFAOYSA-N |