2-[(3-bromoadamantan-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-bromoadamantan-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
2-[(3-bromoadamantan-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0KPI-0039 |
| Compound Name: | 2-[(3-bromoadamantan-1-yl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 374.28 |
| Molecular Formula: | C19 H20 Br N O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)[Br])CN1C(c2ccccc2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4714 |
| logD: | 4.4714 |
| logSw: | -4.6859 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5246 |
| InChI Key: | XKXZDQMIAUIRNA-UHFFFAOYSA-N |