5-(adamantan-1-yl)-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(adamantan-1-yl)-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
5-(adamantan-1-yl)-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3257-4618 |
| Compound Name: | 5-(adamantan-1-yl)-2-(4-nitrophenyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C24 H22 N2 O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0548 |
| logD: | 6.0548 |
| logSw: | -6.0003 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.023 |
| InChI Key: | BCYCBLLFCHPGBN-UHFFFAOYSA-N |