2-{2-[4-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0081 |
| Compound Name: | 2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(C2C3CC(C=C3)C2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1667 |
| logD: | 2.1666 |
| logSw: | -2.513 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.688 |
| InChI Key: | BZYHNQRIILSCDB-UHFFFAOYSA-N |