2-[(4-fluorobenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(4-fluorobenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(4-fluorobenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0035 |
| Compound Name: | 2-[(4-fluorobenzene-1-sulfonyl)amino]-5-{4-[(2-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(CCN1Cc1ccccc1F)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0303 |
| logD: | 0.1455 |
| logSw: | -4.1036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.591 |
| InChI Key: | VCYWLMRHDSUIQZ-UHFFFAOYSA-N |