2-[5-(4-bromothiophen-2-yl)-7-methoxy-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
Chemical Structure Depiction of
2-[5-(4-bromothiophen-2-yl)-7-methoxy-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
2-[5-(4-bromothiophen-2-yl)-7-methoxy-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
Compound characteristics
| Compound ID: | 7896-0705 |
| Compound Name: | 2-[5-(4-bromothiophen-2-yl)-7-methoxy-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C22 H19 Br N2 O3 S |
| Smiles: | Cc1ccc(c(c1)C1CC2c3cccc(c3OC(c3cc(cs3)[Br])N2N=1)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2567 |
| logD: | 6.2554 |
| logSw: | -5.4324 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.927 |
| InChI Key: | OGMDOWZCJQBPJU-UHFFFAOYSA-N |