N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
Formula:C15H12N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide |
| MolecularFormula | C15H12N4O2Cl2 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)NCc1cnccc1 |
| InChI | InChI=1S/C15H12Cl2N4O2/c16-12-4-3-11(13(17)6-12)9-20-21-15(23)14(22)19-8-10-2-1-5-18-7-10/h1-7,9H,8H2,(H,19,22)(H,21,23) |
| InChIK | KTZYEFAYHIUKPJ-UHFFFAOYSA-N |
| TotalMolweight | 351.192 |
| Molweight | 351.192 |
| MonoisotopicMass | 350.03373 |
| CLogP | 2.0644 |
| CLogS | -4.018 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 259.56 |
| Relative PSA | 0.27539 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 4.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide | 2 - N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
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