2-(4-chloro-2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-chloro-2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-chloro-2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-0735 |
| Compound Name: | 2-(4-chloro-2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C17 H16 Cl N O4 |
| Smiles: | COc1cc(c(cc1N1C(C2C3CC(C=C3)C2C1=O)=O)OC)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.429 |
| logD: | 2.429 |
| logSw: | -3.0245 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.684 |
| InChI Key: | TVHTZAWCNONWKO-UHFFFAOYSA-N |