2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Compound characteristics
| Compound ID: | 2054-0248 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate |
| Molecular Weight: | 460.32 |
| Molecular Formula: | C22 H22 Br N O5 |
| Smiles: | CC(C)C(C(=O)OCC(c1ccc(cc1)[Br])=O)N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1811 |
| logD: | 3.1811 |
| logSw: | -3.4195 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.673 |
| InChI Key: | RCJCAVHTCVWBRN-UHFFFAOYSA-N |