3-acetamido-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-acetamido-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-acetamido-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0772 |
| Compound Name: | 3-acetamido-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 490.48 |
| Molecular Formula: | C19 H28 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)(C)C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0377 |
| logD: | 0.1433 |
| logSw: | -2.6785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.469 |
| InChI Key: | GUAFRBJVKYIBCT-UHFFFAOYSA-N |