2-[4-[(Z)-[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide
Formula:C19H16N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C19H16N4O6 |
| Smiles | NC(COc1ccc(/C=C(/C(N2Cc(cc3)ccc3[N+]([O-])=O)=O)\NC2=O)cc1)=O |
| InChI | InChI=1S/C19H16N4O6/c20-17(24)11-29-15-7-3-12(4-8-15)9-16-18(25)22(19(26)21-16)10-13-1-5-14(6-2-13)23(27)28/h1-9H,10-11H2,(H2,20,24)(H,21,26) |
| InChIK | RSIZGMFCJHGTLL-UHFFFAOYSA-N |
| TotalMolweight | 396.358 |
| Molweight | 396.358 |
| MonoisotopicMass | 396.106986 |
| CLogP | 0.2799 |
| CLogS | -4.026 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 288.95 |
| Relative PSA | 0.38007 |
| PolarSurfaceArea | 147.55 |
| Druglikeness | 0.21564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[1-[(4-nitrophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetamide
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