| MolName | 2-[2-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-phenylacetamide |
| MolecularFormula | C20H16N4O6 |
| Smiles | [O-][N+](C(C(N1)=O)=C(/C=C\c(cccc2)c2OCC(Nc2ccccc2)=O)NC1=O)=O |
| InChI | InChI=1S/C20H16N4O6/c25-17(21-14-7-2-1-3-8-14)12-30-16-9-5-4-6-13(16)10-11-15-18(24(28)29)19(26)23-20(27)22-15/h1-11H,12H2,(H,21,25)(H2,22,23,26,27) |
| InChIK | WZPAIXBGNXLFOX-UHFFFAOYSA-N |
| TotalMolweight | 408.369 |
| Molweight | 408.369 |
| MonoisotopicMass | 408.106986 |
| CLogP | 1.0184 |
| CLogS | -4.698 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 304 |
| Relative PSA | 0.37474 |
| PolarSurfaceArea | 142.35 |
| Druglikeness | -2.7926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-phenylacetamide | 2 - 2-[2-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]-N-phenylacetamide