2-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
2-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6461 |
| Compound Name: | 2-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C30 H34 N2 O6 |
| Smiles: | CC1(C)CC(=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(C1)=O)NCCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8815 |
| logD: | 2.8099 |
| logSw: | -3.4995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.303 |
| InChI Key: | KZGMLCWTDHJZFV-UHFFFAOYSA-N |