2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | C034-0032 |
Compound Name: | 2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Molecular Weight: | 393.48 |
Molecular Formula: | C23 H27 N3 O3 |
Smiles: | C(CC(N1CCN(CC1)c1ccccc1)=O)CN1C(C2C3CC(C=C3)C2C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.272 |
logD: | 1.272 |
logSw: | -1.8001 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.967 |
InChI Key: | XREYINAEXCJZKC-UHFFFAOYSA-N |