2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0529 |
| Compound Name: | 2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-cyclohexylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.02 |
| Molecular Formula: | C23 H27 Cl F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCC(CC1)N1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5264 |
| logD: | 4.5264 |
| logSw: | -4.344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.144 |
| InChI Key: | HUTQCUIOBSIRTI-UHFFFAOYSA-N |