2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1656 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-5-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566.58 |
| Molecular Formula: | C25 H32 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8345 |
| logD: | 1.5838 |
| logSw: | -3.836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.014 |
| InChI Key: | VWILJQAPWHNXFW-UHFFFAOYSA-N |