2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y503-1546 |
| Compound Name: | 2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C18 H18 N6 O3 S |
| Smiles: | CCn1cc(c2ccnc(n2)SCC(Nc2cccc(c2)[N+]([O-])=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7929 |
| logD: | 2.7922 |
| logSw: | -3.322 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.806 |
| InChI Key: | RGBQIPSSGRVQIT-UHFFFAOYSA-N |