5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{[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-dimethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{[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: | F293-1046 |
| Compound Name: | 5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C24 H31 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2c(cc(cn2)NS(c2ccc(C)c(C)c2)(=O)=O)C(O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9955 |
| logD: | 2.3879 |
| logSw: | -3.9898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.578 |
| InChI Key: | ORFADACTKWUSHL-UHFFFAOYSA-N |