3-({(benzylamino)[4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid
Chemical Structure Depiction of
3-({(benzylamino)[4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid
3-({(benzylamino)[4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid
Compound characteristics
| Compound ID: | G696-5714 |
| Compound Name: | 3-({(benzylamino)[4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid |
| Molecular Weight: | 573.53 |
| Molecular Formula: | C25 H25 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | C(c1ccccc1)N/C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7636 |
| logD: | 4.7636 |
| logSw: | -4.5203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.336 |
| InChI Key: | VRCAQUINJNOJLT-UHFFFAOYSA-N |