2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3033-1794 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N'-[(4-methyl-3-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 399.36 |
| Molecular Formula: | C17 H17 N7 O5 |
| Smiles: | Cc1ccc(/C=N/NC(Cn2cnc3C(N(C)C(N(C)c23)=O)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1725 |
| logD: | 1.1721 |
| logSw: | -2.5108 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.359 |
| InChI Key: | CICGQGHCEACZHI-UHFFFAOYSA-N |