3-({4-[(3-nitrophenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
Chemical Structure Depiction of
3-({4-[(3-nitrophenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
3-({4-[(3-nitrophenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3702-0544 |
| Compound Name: | 3-({4-[(3-nitrophenyl)methyl]piperazin-1-yl}methyl)-1H-indole--oxalic acid (1/1) |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C20 H22 N4 O2 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[N+]([O-])=O)Cc1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0018 |
| logD: | 1.8625 |
| logSw: | -3.2395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.764 |
| InChI Key: | NSJGAMJROSRJSY-UHFFFAOYSA-N |