5-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
5-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
5-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 5511-0068 |
| Compound Name: | 5-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C23 H21 Br N2 O3 S |
| Smiles: | CCOc1c(cc(cc1[Br])C1N2C(CC(c3cccs3)=N2)c2ccccc2O1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0567 |
| logD: | 6.0567 |
| logSw: | -5.5767 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.991 |
| InChI Key: | WTNKSAJVWMGEET-UHFFFAOYSA-N |