2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(heptylamino)butyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(heptylamino)butyl]-1H-isoindole-1,3(2H)-dione
2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(heptylamino)butyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6869 |
| Compound Name: | 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-(heptylamino)butyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C27 H36 N2 O4 |
| Smiles: | CCCCCCCNC(CCCN1C(c2ccccc2C1=O)=O)=C1C(CC(C)(C)CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6922 |
| logD: | 4.6823 |
| logSw: | -4.4 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.01 |
| InChI Key: | FSGFNNJFKQHZCN-UHFFFAOYSA-N |