2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0532 |
| Compound Name: | 2-[(2-chloro-4-fluorobenzene-1-sulfonyl)amino]-5-(4-methylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 541.9 |
| Molecular Formula: | C18 H19 Cl F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6874 |
| logD: | 2.6874 |
| logSw: | -3.3952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.527 |
| InChI Key: | DDFXDKLMEQJJDC-UHFFFAOYSA-N |