3-[5-(adamantan-1-yl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-(adamantan-1-yl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
3-[5-(adamantan-1-yl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 5643-0559 |
| Compound Name: | 3-[5-(adamantan-1-yl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C25 H23 N O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc2C(N(C(c2c1)=O)c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0664 |
| logD: | 3.3769 |
| logSw: | -5.8521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.05 |
| InChI Key: | CASYBDRWTNRQQJ-UHFFFAOYSA-N |