5-(2-bromo-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
5-(2-bromo-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
5-(2-bromo-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 6969-1798 |
| Compound Name: | 5-(2-bromo-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 441.34 |
| Molecular Formula: | C21 H17 Br N2 O2 S |
| Smiles: | COc1ccc(c(c1)C1N2C(CC(c3cccs3)=N2)c2ccccc2O1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8823 |
| logD: | 5.8823 |
| logSw: | -5.5959 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.6079 |
| InChI Key: | YDUWLUHIHQNHKP-UHFFFAOYSA-N |