2-[4-(benzylamino)-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(benzylamino)-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
2-[4-(benzylamino)-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-5233 |
| Compound Name: | 2-[4-(benzylamino)-4-(4,4-dimethyl-2,6-dioxocyclohexylidene)butyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | CC1(C)CC(C(=C(CCCN2C(c3ccccc3C2=O)=O)NCc2ccccc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2398 |
| logD: | 2.8443 |
| logSw: | -3.6709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.897 |
| InChI Key: | MSEHAMCQOVOPCJ-UHFFFAOYSA-N |