6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-1057 |
| Compound Name: | 6-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(3-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.6 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2c(cc(cn2)C(O)=O)NS(c2cccc(C)c2)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2896 |
| logD: | 0.1382 |
| logSw: | -3.4005 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.88 |
| InChI Key: | BLOZZHQPHLLMKV-UHFFFAOYSA-N |