9-bromo-5-[3-methoxy-4-(pentyloxy)phenyl]-2-{4-[(propan-2-yl)oxy]phenyl}-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
9-bromo-5-[3-methoxy-4-(pentyloxy)phenyl]-2-{4-[(propan-2-yl)oxy]phenyl}-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
9-bromo-5-[3-methoxy-4-(pentyloxy)phenyl]-2-{4-[(propan-2-yl)oxy]phenyl}-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | IB04-3782 |
| Compound Name: | 9-bromo-5-[3-methoxy-4-(pentyloxy)phenyl]-2-{4-[(propan-2-yl)oxy]phenyl}-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 579.53 |
| Molecular Formula: | C31 H35 Br N2 O4 |
| Smiles: | CCCCCOc1ccc(cc1OC)C1N2C(CC(c3ccc(cc3)OC(C)C)=N2)c2cc(ccc2O1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.41 |
| logD: | 8.41 |
| logSw: | -8.21 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 61.62 |
| InChI Key: | KNWBGGNBZBRTQR-UHFFFAOYSA-N |