2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-1034 |
| Compound Name: | 2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 589.57 |
| Molecular Formula: | C22 H26 F N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2c(cc(cn2)NS(c2ccc(cc2)F)(=O)=O)C(O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0958 |
| logD: | 1.4882 |
| logSw: | -3.377 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.578 |
| InChI Key: | XKRRVVQEHLJMDM-UHFFFAOYSA-N |