2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0932 |
| Compound Name: | 2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.01 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CCOc1ccc(cc1)[Cl])c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.958 |
| logD: | 2.7073 |
| logSw: | -4.735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.844 |
| InChI Key: | SEYPVEYOJOCFQC-UHFFFAOYSA-N |