5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-3008 |
| Compound Name: | 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | CC1CCc2c3C(N(C(C)=Nc3sc2C1)NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.758 |
| logD: | 2.7576 |
| logSw: | -3.2928 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.512 |
| InChI Key: | KIULQTOBNMRUMR-LLVKDONJSA-N |