2,3-dibromo-6-methoxy-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Chemical Structure Depiction of
2,3-dibromo-6-methoxy-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
2,3-dibromo-6-methoxy-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Compound characteristics
| Compound ID: | 5511-0069 |
| Compound Name: | 2,3-dibromo-6-methoxy-4-[2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol |
| Molecular Weight: | 536.24 |
| Molecular Formula: | C21 H16 Br2 N2 O3 S |
| Smiles: | COc1cc(C2N3C(CC(c4cccs4)=N3)c3ccccc3O2)c(c(c1O)[Br])[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.74 |
| logD: | 5.4068 |
| logSw: | -5.4009 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.174 |
| InChI Key: | DXQHPQPGWPRJEE-UHFFFAOYSA-N |