2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(thiophene-2-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-[(thiophene-2-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-[(thiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-1043 |
| Compound Name: | 2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(thiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 577.6 |
| Molecular Formula: | C20 H25 N5 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2c(cc(cn2)NS(c2cccs2)(=O)=O)C(O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8297 |
| logD: | 1.2221 |
| logSw: | -3.273 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.596 |
| InChI Key: | DOBOIRGGRTVIBO-UHFFFAOYSA-N |