3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-0097 |
| Compound Name: | 3-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 589.01 |
| Molecular Formula: | C24 H31 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | COCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2038 |
| logD: | 4.2038 |
| logSw: | -4.3508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.087 |
| InChI Key: | XTHPCZPNTKHUFO-UHFFFAOYSA-N |