5-[4-(methylsulfanyl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
5-[4-(methylsulfanyl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
5-[4-(methylsulfanyl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 6835-5687 |
| Compound Name: | 5-[4-(methylsulfanyl)phenyl]-2-(thiophen-2-yl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C21 H18 N2 O S2 |
| Smiles: | CSc1ccc(cc1)C1N2C(CC(c3cccs3)=N2)c2ccccc2O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8468 |
| logD: | 5.8468 |
| logSw: | -5.7683 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.0641 |
| InChI Key: | XLBLNJIQGKTQGR-UHFFFAOYSA-N |