N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
Formula:C18H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide |
| MolecularFormula | C18H18N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N/NC(CC(NCCc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C18H18N4O4/c23-17(19-11-10-14-4-2-1-3-5-14)12-18(24)21-20-13-15-6-8-16(9-7-15)22(25)26/h1-9,13H,10-12H2,(H,19,23)(H,21,24) |
| InChIK | OWIPZEHQYWAFIB-UHFFFAOYSA-N |
| TotalMolweight | 354.365 |
| Molweight | 354.365 |
| MonoisotopicMass | 354.132806 |
| CLogP | 1.8162 |
| CLogS | -4.183 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 281.15 |
| Relative PSA | 0.32342 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -2.5818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide | 2 - N'-[(E)-(4-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
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