4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0703 |
| Compound Name: | 4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.56 |
| Molecular Formula: | C19 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)(C)C)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.682 |
| logD: | 0.9214 |
| logSw: | -3.0297 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.756 |
| InChI Key: | QZSCWFQWURVGDA-UHFFFAOYSA-N |