2-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K978-0449 |
| Compound Name: | 2-{3-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C24 H25 N3 O5 |
| Smiles: | C(CN1C(C2C3CC(C=C3)C2C1=O)=O)C(N1CC(N(CCc2ccccc2)C(C1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0375 |
| logD: | -0.0375 |
| logSw: | -1.4525 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.074 |
| InChI Key: | ZCGVBFUBUYFDRG-UHFFFAOYSA-N |