2-{2-[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C082-0016 |
| Compound Name: | 2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2913 |
| logD: | 2.2913 |
| logSw: | -3.0461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.688 |
| InChI Key: | BJOLDUUGZACVEU-UHFFFAOYSA-N |