9-chloro-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
9-chloro-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
9-chloro-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | K805-0663 |
| Compound Name: | 9-chloro-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C22 H19 Cl N2 O2 S |
| Smiles: | Cc1ccc(C2CC3c4cc(ccc4OC(c4ccc(cc4)SC)N3N=2)[Cl])o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3282 |
| logD: | 6.3282 |
| logSw: | -6.4939 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.1382 |
| InChI Key: | AUGWBHHCYWRYCK-UHFFFAOYSA-N |