methyl 4-[2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
methyl 4-[2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | G300-0186 |
| Compound Name: | methyl 4-[2-(3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C26 H21 N3 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C2=C(Cc3ccccc3O2)C(N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3298 |
| logD: | 4.3298 |
| logSw: | -4.518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.65 |
| InChI Key: | PYEGVJHMBYAQOX-UHFFFAOYSA-N |