2-cyano-2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-cyano-2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]-N-(4-methoxyphenyl)acetamide
2-cyano-2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 4155-1220 |
| Compound Name: | 2-cyano-2-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 396.36 |
| Molecular Formula: | C17 H16 N8 O4 |
| Smiles: | CN1C(c2c(nc(N/N=C(/C#N)C(Nc3ccc(cc3)OC)=O)[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9248 |
| logD: | 1.921 |
| logSw: | -2.5857 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.909 |
| InChI Key: | SSBJADMWNNBGFZ-UHFFFAOYSA-N |