ethyl cyano[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]acetate
Chemical Structure Depiction of
ethyl cyano[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]acetate
ethyl cyano[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]acetate
Compound characteristics
| Compound ID: | 4155-1215 |
| Compound Name: | ethyl cyano[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinylidene]acetate |
| Molecular Weight: | 319.28 |
| Molecular Formula: | C12 H13 N7 O4 |
| Smiles: | CCOC(C(\C#N)=N/Nc1nc2c(C(N(C)C(N2C)=O)=O)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2958 |
| logD: | 0.6724 |
| logSw: | -1.3236 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.027 |
| InChI Key: | KPXSVPJUTXGHMG-UHFFFAOYSA-N |