2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2310 |
| Compound Name: | 2-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-5-(2-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566.58 |
| Molecular Formula: | C25 H32 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(NC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8613 |
| logD: | 1.6106 |
| logSw: | -3.8411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.997 |
| InChI Key: | PUEHWQDGZKBYND-UHFFFAOYSA-N |