N-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7797 |
| Compound Name: | N-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C20 H18 N6 O4 S |
| Smiles: | CCc1cc2C(N(C(C)=Nc2s1)NC(c1cccc(Cn2cc(cn2)[N+]([O-])=O)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8888 |
| logD: | 1.8869 |
| logSw: | -2.6994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.576 |
| InChI Key: | LXCQJTUQEFSXBM-UHFFFAOYSA-N |