4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0191 |
| Compound Name: | 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.01 |
| Molecular Formula: | C21 H20 Cl N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1)[Cl])c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0699 |
| logD: | 3.132 |
| logSw: | -5.0495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.029 |
| InChI Key: | VYFBLHRBCQRDEI-UHFFFAOYSA-N |