N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-1549 |
| Compound Name: | N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 414.4 |
| Molecular Formula: | C17 H14 N6 O5 S |
| Smiles: | CC1=Nc2c(cc(C)s2)C(N1NC(c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.306 |
| logD: | 1.3058 |
| logSw: | -2.5685 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.418 |
| InChI Key: | CYJZZXSACMQNQY-UHFFFAOYSA-N |