2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Compound characteristics
| Compound ID: | 2054-0733 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate |
| Molecular Weight: | 434.29 |
| Molecular Formula: | C20 H20 Br N O5 |
| Smiles: | CC(C(=O)OCC(c1ccc(cc1)[Br])=O)N1C(C2C3CCC(C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2082 |
| logD: | 2.2082 |
| logSw: | -2.4353 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.053 |
| InChI Key: | XSNLHIWRTQZZSU-UHFFFAOYSA-N |