4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0330 |
| Compound Name: | 4-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.59 |
| Molecular Formula: | C28 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1cc(ccc1N1CCN(CC1)CC(Nc1cccc(C)c1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3287 |
| logD: | 3.4344 |
| logSw: | -5.1573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.881 |
| InChI Key: | UDSDHOJXAKIZNB-UHFFFAOYSA-N |