2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol
Chemical Structure Depiction of
2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol
2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol
Compound characteristics
| Compound ID: | 7896-0378 |
| Compound Name: | 2-{7-methoxy-5-[2-(methylsulfanyl)ethyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl}phenol |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | COc1cccc2C3CC(c4ccccc4O)=NN3C(CCSC)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6464 |
| logD: | 4.6397 |
| logSw: | -3.9562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.375 |
| InChI Key: | PIUNIOGUGVIICW-UHFFFAOYSA-N |