5-methyl-2-(4-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}phenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-(4-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}phenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-(4-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}phenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5782-4310 |
| Compound Name: | 5-methyl-2-(4-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}phenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C25 H25 N O4 |
| Smiles: | CC(C(c1ccc(C)cc1)=O)Oc1ccc(cc1)N1C(C2CC=C(C)CC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4186 |
| logD: | 4.4186 |
| logSw: | -4.3742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.328 |
| InChI Key: | HHTNOJKPVZKLEK-UHFFFAOYSA-N |