2-[2-(adamantan-1-yl)ethyl]-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(adamantan-1-yl)ethyl]-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[2-(adamantan-1-yl)ethyl]-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8016-4914 |
| Compound Name: | 2-[2-(adamantan-1-yl)ethyl]-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 327.47 |
| Molecular Formula: | C21 H29 N O2 |
| Smiles: | CC1CC2C(CC=1)C(N(CCC13CC4CC(CC(C4)C3)C1)C2=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7637 |
| logD: | 4.7637 |
| logSw: | -4.4393 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.6952 |
| InChI Key: | ADRMBVOXEALUIY-UHFFFAOYSA-N |