2-{9-bromo-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol
Chemical Structure Depiction of
2-{9-bromo-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol
2-{9-bromo-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol
Compound characteristics
| Compound ID: | 7896-0085 |
| Compound Name: | 2-{9-bromo-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol |
| Molecular Weight: | 419.34 |
| Molecular Formula: | C19 H19 Br N2 O2 S |
| Smiles: | CSCCC1N2C(CC(c3ccccc3O)=N2)c2cc(ccc2O1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5683 |
| logD: | 5.5647 |
| logSw: | -5.2741 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.06 |
| InChI Key: | RYDDNYWIHNPELM-UHFFFAOYSA-N |