4-(9'-chloro-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
Chemical Structure Depiction of
4-(9'-chloro-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
4-(9'-chloro-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
Compound characteristics
| Compound ID: | D733-0621 |
| Compound Name: | 4-(9'-chloro-1-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol |
| Molecular Weight: | 383.88 |
| Molecular Formula: | C21 H22 Cl N3 O2 |
| Smiles: | CN1CCC2(CC1)N1C(CC(c3ccc(cc3)O)=N1)c1cc(ccc1O2)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7834 |
| logD: | 2.2462 |
| logSw: | -4.216 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.945 |
| InChI Key: | NHNXXFIQYOINBY-IBGZPJMESA-N |