2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1639 |
| Compound Name: | 2-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}-5-(4-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.59 |
| Molecular Formula: | C28 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0787 |
| logD: | 2.8281 |
| logSw: | -4.6241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.579 |
| InChI Key: | IYVVJPSPCOBWNZ-UHFFFAOYSA-N |