2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K655-0141 |
| Compound Name: | 2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C25 H25 N3 O3 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1cccc(c1)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.632 |
| logD: | 2.632 |
| logSw: | -3.0119 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.981 |
| InChI Key: | UGTDTSSKFQDGKQ-UHFFFAOYSA-N |