N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbohydrazide
Chemical Structure Depiction of
N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbohydrazide
N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbohydrazide
Compound characteristics
| Compound ID: | 8019-7296 |
| Compound Name: | N'-[(6-{[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-7-carbohydrazide |
| Molecular Weight: | 579.56 |
| Molecular Formula: | C27 H22 F N5 O7 S |
| Smiles: | COc1c(CC2CC(c3ccc(cc3)F)=NO2)c(/C=N/NC(C2=CC(N3C=CSC3=N2)=O)=O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5172 |
| logD: | 3.4042 |
| logSw: | -3.8548 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.886 |
| InChI Key: | IETJIGPAHQYILA-INIZCTEOSA-N |