3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0712 |
| Compound Name: | 3-[(4-fluorobenzene-1-sulfonyl)amino]-4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.55 |
| Molecular Formula: | C24 H23 F2 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)F)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4229 |
| logD: | 1.2645 |
| logSw: | -4.2073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.29 |
| InChI Key: | QPEMVGWTZOEQJO-UHFFFAOYSA-N |