methyl 4-[9-bromo-2-(furan-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[9-bromo-2-(furan-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
methyl 4-[9-bromo-2-(furan-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Compound characteristics
| Compound ID: | 6835-5303 |
| Compound Name: | methyl 4-[9-bromo-2-(furan-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C22 H17 Br N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1N2C(CC(c3ccco3)=N2)c2cc(ccc2O1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2516 |
| logD: | 5.2516 |
| logSw: | -5.2565 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.798 |
| InChI Key: | JEJXVHISISWCOK-UHFFFAOYSA-N |