2-{[5-(adamantan-1-yl)-2,3-dimethylanilino]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[5-(adamantan-1-yl)-2,3-dimethylanilino]methyl}-1H-isoindole-1,3(2H)-dione
2-{[5-(adamantan-1-yl)-2,3-dimethylanilino]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0417-1839 |
| Compound Name: | 2-{[5-(adamantan-1-yl)-2,3-dimethylanilino]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C27 H30 N2 O2 |
| Smiles: | Cc1cc(cc(c1C)NCN1C(c2ccccc2C1=O)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 6.9839 |
| logD: | 6.9839 |
| logSw: | -5.7456 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.715 |
| InChI Key: | QNFYFLUPAKDASW-UHFFFAOYSA-N |