2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y501-8862 |
| Compound Name: | 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 506.46 |
| Molecular Formula: | C21 H17 F3 N6 O4 S |
| Smiles: | Cc1cc(C(F)(F)F)nc2c1c1c(C(NC(c3ccc(Cn4c(C)c(c(C)n4)[N+]([O-])=O)o3)N1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.419 |
| logD: | 3.419 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.748 |
| InChI Key: | OAFAIUNEYQLSFJ-GOSISDBHSA-N |