2-[9-bromo-5-(thiophen-3-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
Chemical Structure Depiction of
2-[9-bromo-5-(thiophen-3-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
2-[9-bromo-5-(thiophen-3-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
Compound characteristics
| Compound ID: | 7896-0622 |
| Compound Name: | 2-[9-bromo-5-(thiophen-3-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol |
| Molecular Weight: | 457.34 |
| Molecular Formula: | C21 H17 Br N2 O3 S |
| Smiles: | COc1ccc(c(c1)C1CC2c3cc(ccc3OC(c3ccsc3)N2N=1)[Br])O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0275 |
| logD: | 6.0269 |
| logSw: | -5.4359 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.156 |
| InChI Key: | IWRWLXPJEAYUAE-UHFFFAOYSA-N |