4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0570 |
| Compound Name: | 4-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.99 |
| Molecular Formula: | C21 H26 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CCOc1ccc(cc1)[Cl])C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.085 |
| logD: | 2.3245 |
| logSw: | -4.295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.585 |
| InChI Key: | HVBTXKBOFSATEN-UHFFFAOYSA-N |