4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0489 |
| Compound Name: | 4-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-propanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 538.52 |
| Molecular Formula: | C23 H28 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1cc(ccc1N1CCN(CC1)CC(Nc1ccc(C)cc1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7009 |
| logD: | 1.8065 |
| logSw: | -3.812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.939 |
| InChI Key: | VIMDTDDPUJSOIW-UHFFFAOYSA-N |