N-(4-bromo-3-methylphenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)propanamide
N-(4-bromo-3-methylphenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | C082-0519 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)propanamide |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(CCN1C(C2C3CCC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0255 |
| logD: | 3.0252 |
| logSw: | -3.2242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.732 |
| InChI Key: | ZXQHPTRLAUAPEK-UHFFFAOYSA-N |