dimethyl 5-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 6228-1090 |
| Compound Name: | dimethyl 5-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 417.8 |
| Molecular Formula: | C19 H16 Cl N3 O6 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5689 |
| logD: | 3.5687 |
| logSw: | -3.9362 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.024 |
| InChI Key: | PPXSKTROKHFPHW-UHFFFAOYSA-N |