9-bromo-5-(4-tert-butylphenyl)-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Chemical Structure Depiction of
9-bromo-5-(4-tert-butylphenyl)-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
9-bromo-5-(4-tert-butylphenyl)-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine
Compound characteristics
| Compound ID: | 4202-1508 |
| Compound Name: | 9-bromo-5-(4-tert-butylphenyl)-2-phenyl-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazine |
| Molecular Weight: | 461.4 |
| Molecular Formula: | C26 H25 Br N2 O |
| Smiles: | CC(C)(C)c1ccc(cc1)C1N2C(CC(c3ccccc3)=N2)c2cc(ccc2O1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.7512 |
| logD: | 7.7511 |
| logSw: | -5.9569 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 22.0458 |
| InChI Key: | IQSMPUBUFWANEO-UHFFFAOYSA-N |