2-(9'-bromo-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
Chemical Structure Depiction of
2-(9'-bromo-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
2-(9'-bromo-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
Compound characteristics
| Compound ID: | D733-0595 |
| Compound Name: | 2-(9'-bromo-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol |
| Molecular Weight: | 428.33 |
| Molecular Formula: | C21 H22 Br N3 O2 |
| Smiles: | CN1CCC2(CC1)N1C(CC(c3ccccc3O)=N1)c1cc(ccc1O2)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6971 |
| logD: | 3.16 |
| logSw: | -3.9569 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.877 |
| InChI Key: | VRRWGIXZYYGJBR-SFHVURJKSA-N |