methyl 2-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
methyl 2-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E751-4209 |
| Compound Name: | methyl 2-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C22 H17 F N4 O3 |
| Smiles: | COC(c1ccccc1NC(c1cnn(c2ccc(cc2)F)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.562 |
| logD: | 4.556 |
| logSw: | -4.3531 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.662 |
| InChI Key: | FQTLDYLWJGEBTK-UHFFFAOYSA-N |