2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoate
2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoate
Compound characteristics
| Compound ID: | 4483-1893 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoate |
| Molecular Weight: | 635.51 |
| Molecular Formula: | C32 H31 Br N2 O7 |
| Smiles: | C(CCN1C(C2C3CC(C=C3)C2C1=O)=O)CC(C(=O)OCC(c1ccc(cc1)[Br])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9271 |
| logD: | 2.9271 |
| logSw: | -3.311 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.714 |
| InChI Key: | CCZSKNBYGOHVBM-UHFFFAOYSA-N |