(5'Z)-5'-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-1,10b-dihydrospiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one
Chemical Structure Depiction of
(5'Z)-5'-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-1,10b-dihydrospiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one
(5'Z)-5'-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-1,10b-dihydrospiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one
Compound characteristics
| Compound ID: | D057-0107 |
| Compound Name: | (5'Z)-5'-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl-1,10b-dihydrospiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C30 H29 N3 O4 S |
| Smiles: | [H]c1ccc2c(c1)C1CC(c3ccccc3)=NN1C1(/C(=C/c3ccc(c(c3)OC)OCC(C)C)SC(N1)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.824 |
| logD: | 6.8166 |
| logSw: | -5.7068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.882 |
| InChI Key: | LAGUSBCYBQTGIY-UHFFFAOYSA-N |