N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide
Formula:C21H16N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide |
| MolecularFormula | C21H16N4O2Cl2 |
| Smiles | O=C(c(cc1)ccc1NC(Nc1ccccc1)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C21H16Cl2N4O2/c22-16-9-6-15(19(23)12-16)13-24-27-20(28)14-7-10-18(11-8-14)26-21(29)25-17-4-2-1-3-5-17/h1-13H,(H,27,28)(H2,25,26,29) |
| InChIK | LRPKCZPJXPWDAD-UHFFFAOYSA-N |
| TotalMolweight | 427.29 |
| Molweight | 427.29 |
| MonoisotopicMass | 426.06503 |
| CLogP | 5.555 |
| CLogS | -7.221 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 318.26 |
| Relative PSA | 0.22614 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 4.8155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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