5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8012-0280 |
| Compound Name: | 5,6-dimethyl-2-(4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 300.31 |
| Molecular Formula: | C16 H16 N2 O4 |
| Smiles: | CC1CC2C(CC=1C)C(N(C2=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1862 |
| logD: | 2.1862 |
| logSw: | -2.8538 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.453 |
| InChI Key: | DPEVIVVOLWLMJM-UHFFFAOYSA-N |