methyl 3-{[{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amino}(3-fluoro-4-methylbenzamido)methylidene]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amino}(3-fluoro-4-methylbenzamido)methylidene]amino}benzoate
methyl 3-{[{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amino}(3-fluoro-4-methylbenzamido)methylidene]amino}benzoate
Compound characteristics
| Compound ID: | F341-0630 |
| Compound Name: | methyl 3-{[{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]amino}(3-fluoro-4-methylbenzamido)methylidene]amino}benzoate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H30 F N5 O3 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(C)c(c2)F)=O)=N/c2cccc(c2)C(=O)OC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1829 |
| logD: | 4.1448 |
| logSw: | -4.2958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.145 |
| InChI Key: | TXKWJQQDLPDJKZ-UHFFFAOYSA-N |