4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0572 |
| Compound Name: | 4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 567.97 |
| Molecular Formula: | C20 H24 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1cc(ccc1N1CCN(CC1)CCOc1ccc(cc1)[Cl])C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4629 |
| logD: | 1.3532 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.904 |
| InChI Key: | GRWHRKGFVJHPHG-UHFFFAOYSA-N |