5-[(3,4-difluorobenzene-1-sulfonyl)amino]-6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,4-difluorobenzene-1-sulfonyl)amino]-6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3,4-difluorobenzene-1-sulfonyl)amino]-6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-1054 |
| Compound Name: | 5-[(3,4-difluorobenzene-1-sulfonyl)amino]-6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.56 |
| Molecular Formula: | C22 H25 F2 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2c(cc(cn2)C(O)=O)NS(c2ccc(c(c2)F)F)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2279 |
| logD: | -0.3435 |
| logSw: | -3.4264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.88 |
| InChI Key: | DRJKUCFZOXIXST-UHFFFAOYSA-N |