2-{4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(prop-2-en-1-yl)amino]butyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(prop-2-en-1-yl)amino]butyl}-1H-isoindole-1,3(2H)-dione
2-{4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(prop-2-en-1-yl)amino]butyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8014-2743 |
| Compound Name: | 2-{4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(prop-2-en-1-yl)amino]butyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C23 H26 N2 O4 |
| Smiles: | CC1(C)CC(C(=C(CCCN2C(c3ccccc3C2=O)=O)NCC=C)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3276 |
| logD: | 2.2086 |
| logSw: | -2.8702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.01 |
| InChI Key: | SZQWSAIMSKTNQB-UHFFFAOYSA-N |