2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C082-0012 |
| Compound Name: | 2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C22 H25 N3 O4 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1167 |
| logD: | 1.1166 |
| logSw: | -2.0615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.533 |
| InChI Key: | BKVCHHLPGGIDQI-UHFFFAOYSA-N |