2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | G300-1127 |
| Compound Name: | 2-(6-bromo-3-oxo-2-phenyl-2,3-dihydro[1]benzopyrano[2,3-c]pyrazol-1(4H)-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 534.37 |
| Molecular Formula: | C26 H20 Br N3 O5 |
| Smiles: | C1C2=C(N(CC(Nc3ccc4c(c3)OCCO4)=O)N(C2=O)c2ccccc2)Oc2ccc(cc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8574 |
| logD: | 3.8574 |
| logSw: | -4.1703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.299 |
| InChI Key: | IBUNEYFYVMEIPB-UHFFFAOYSA-N |