2-(4-butoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-butoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-butoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8011-9353 |
| Compound Name: | 2-(4-butoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C19 H21 N O3 |
| Smiles: | CCCCOc1ccc(cc1)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0349 |
| logD: | 3.0349 |
| logSw: | -3.156 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.142 |
| InChI Key: | NJXUPJUXAUDVRP-UHFFFAOYSA-N |