2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1049 |
| Compound Name: | 2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.61 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(C)cc2)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9843 |
| logD: | 1.8686 |
| logSw: | -4.0724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.206 |
| InChI Key: | PSVQVSMMPPICKA-UHFFFAOYSA-N |