ethyl 4-[2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
ethyl 4-[2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G300-1124 |
| Compound Name: | ethyl 4-[2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 548.39 |
| Molecular Formula: | C27 H22 Br N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C2=C(Cc3cc(ccc3O2)[Br])C(N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4863 |
| logD: | 5.4862 |
| logSw: | -5.5415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.229 |
| InChI Key: | XJSCGYSPAYYUCW-UHFFFAOYSA-N |