2-{3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0069 |
| Compound Name: | 2-{3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | CC1C=CCC2C1C(N(C2=O)c1cccc(c1)C(N1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4896 |
| logD: | 2.4896 |
| logSw: | -2.8286 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.524 |
| InChI Key: | DCYGWQNHRGODJF-UHFFFAOYSA-N |