9-bromo-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-bromo-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
9-bromo-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 6835-5676 |
| Compound Name: | 9-bromo-2-(5-methylfuran-2-yl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C22 H19 Br N2 O2 S |
| Smiles: | Cc1ccc(C2CC3c4cc(ccc4OC(c4ccc(cc4)SC)N3N=2)[Br])o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4557 |
| logD: | 6.4557 |
| logSw: | -5.9058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.1382 |
| InChI Key: | ULDXLLGPEGVPQY-UHFFFAOYSA-N |