5-[(4-acetylbenzene-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-[(4-acetylbenzene-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-[(4-acetylbenzene-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: | F296-1058 |
| Compound Name: | 5-[(4-acetylbenzene-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: | 613.61 |
| Molecular Formula: | C24 H29 N5 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2c(cc(cn2)C(O)=O)NS(c2ccc(cc2)C(C)=O)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5031 |
| logD: | -0.6483 |
| logSw: | -2.6715 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.707 |
| InChI Key: | VVALAYUVJYOZLU-UHFFFAOYSA-N |