2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-{[4-(propan-2-yl)benzene-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-(propan-2-yl)benzene-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-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1057 |
| Compound Name: | 2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.67 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(cc2)C(C)C)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8991 |
| logD: | 2.7834 |
| logSw: | -4.3295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.206 |
| InChI Key: | YNEJIAQPDZIHDT-UHFFFAOYSA-N |