4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0704 |
| Compound Name: | 4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.63 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)(C)C)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1673 |
| logD: | 1.4286 |
| logSw: | -3.9802 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.857 |
| InChI Key: | PKNBDZBKPBVXPO-UHFFFAOYSA-N |