{4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-2330 |
| Compound Name: | {4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C17 H20 N4 O3 |
| Salt: | HOOCCOOH |
| Smiles: | Cn1cccc1CN1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.74 |
| logD: | 1.736 |
| logSw: | -2.1492 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.706 |
| InChI Key: | GSTXZBGLJXMHDE-UHFFFAOYSA-N |