1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0035 |
| Compound Name: | 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 411.37 |
| Molecular Formula: | C20 H17 N3 O7 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2cc(c(c(c2)OC)O)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9647 |
| logD: | 1.8907 |
| logSw: | -3.4279 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.581 |
| InChI Key: | QUUHNTDMOUNRRM-UHFFFAOYSA-N |