2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(methanesulfonyl)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-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1051 |
| Compound Name: | 2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 508.52 |
| Molecular Formula: | C18 H26 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(C)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7239 |
| logD: | -0.3918 |
| logSw: | -2.5993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.424 |
| InChI Key: | QJJJDTZYXXOJTA-UHFFFAOYSA-N |