7-(difluoromethyl)-2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(difluoromethyl)-2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
7-(difluoromethyl)-2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y501-8867 |
| Compound Name: | 7-(difluoromethyl)-2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 550.54 |
| Molecular Formula: | C26 H20 F2 N6 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C3NC(c4c(c5c(cc(C(F)F)nc5s4)c4ccccc4)N3)=O)o2)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1438 |
| logD: | 4.1437 |
| logSw: | -4.6136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.477 |
| InChI Key: | DNJPQTBSYXNNIH-XMMPIXPASA-N |