N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
Formula:C18H14N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide |
| MolecularFormula | C18H14N4O2Cl2 |
| Smiles | O=C(CCC1=Nc(cccc2)c2NC1=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H14Cl2N4O2/c19-12-6-5-11(13(20)9-12)10-21-24-17(25)8-7-16-18(26)23-15-4-2-1-3-14(15)22-16/h1-6,9-10H,7-8H2,(H,23,26)(H,24,25) |
| InChIK | BLGPPIVFHTWFCF-UHFFFAOYSA-N |
| TotalMolweight | 389.241 |
| Molweight | 389.241 |
| MonoisotopicMass | 388.04938 |
| CLogP | 3.3633 |
| CLogS | -5.591 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 284.03 |
| Relative PSA | 0.25356 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 5.5393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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