N'-[(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide
Chemical Structure Depiction of
N'-[(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide
N'-[(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide
Compound characteristics
| Compound ID: | 3254-0659 |
| Compound Name: | N'-[(2-chloro-5-nitrophenyl)methylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide |
| Molecular Weight: | 419.78 |
| Molecular Formula: | C16 H14 Cl N7 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N/N=C/c2cc(ccc2[Cl])[N+]([O-])=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4849 |
| logD: | 1.4805 |
| logSw: | -2.818 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.716 |
| InChI Key: | HKLRKTUHAQOQOT-UHFFFAOYSA-N |