3-({[(3-ethoxypropyl)amino][4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[(3-ethoxypropyl)amino][4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[(3-ethoxypropyl)amino][4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5812 |
| Compound Name: | 3-({[(3-ethoxypropyl)amino][4-(4-nitrophenyl)piperazin-1-yl]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 569.54 |
| Molecular Formula: | C23 H29 N5 O5 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN/C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9983 |
| logD: | 3.9983 |
| logSw: | -3.8845 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.427 |
| InChI Key: | CFJSZYYPXDSLKR-UHFFFAOYSA-N |