2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F294-1044 |
| Compound Name: | 2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 588.58 |
| Molecular Formula: | C23 H27 F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(cc2)F)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.59 |
| logD: | 1.4743 |
| logSw: | -4.0383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.206 |
| InChI Key: | KZDYMOXLJCIUIM-UHFFFAOYSA-N |