5-(3-bromo-4,5-dimethoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
5-(3-bromo-4,5-dimethoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
5-(3-bromo-4,5-dimethoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 6969-1811 |
| Compound Name: | 5-(3-bromo-4,5-dimethoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C22 H19 Br N2 O3 S |
| Smiles: | COc1cc(cc(c1OC)[Br])C1N2C(CC(c3cccs3)=N2)c2ccccc2O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6261 |
| logD: | 5.6261 |
| logSw: | -5.5708 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.412 |
| InChI Key: | JTNIVGTUHMLCRL-UHFFFAOYSA-N |