6-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | C081-0773 |
| Compound Name: | 6-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C20 H19 N5 O5 |
| Smiles: | C(CN1C(c2cccnc2C1=O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4559 |
| logD: | 0.4559 |
| logSw: | -2.0531 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.413 |
| InChI Key: | RKMSQWDEHQNFLM-UHFFFAOYSA-N |