5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0445 |
| Compound Name: | 5-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.63 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3422 |
| logD: | -0.5426 |
| logSw: | -3.4783 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.158 |
| InChI Key: | XFJLLJGGEQVZKF-UHFFFAOYSA-N |