5-methyl-2-(propan-2-yl)cyclohexyl (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
5-methyl-2-(propan-2-yl)cyclohexyl (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 5086-0609 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl (5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetate |
| Molecular Weight: | 519.27 |
| Molecular Formula: | C21 H29 Br2 N O4 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(CN1C(C2C3CC(C2C1=O)C(C3[Br])[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3982 |
| logD: | 4.3982 |
| logSw: | -4.2985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.04 |
| InChI Key: | ZTWWGNIGPQYILY-UHFFFAOYSA-N |