N,N'-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide
Formula:C24H15N5O4Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide |
| MolecularFormula | C24H15N5O4Cl4 |
| Smiles | [O-][N+](c1ccc(C=C(C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C24H15Cl4N5O4/c25-17-5-3-15(21(27)10-17)12-29-31-23(34)20(9-14-1-7-19(8-2-14)33(36)37)24(35)32-30-13-16-4-6-18(26)11-22(16)28/h1-13H,(H,31,34)(H,32,35) |
| InChIK | QZRQKYHBRYJWDZ-UHFFFAOYSA-N |
| TotalMolweight | 579.226 |
| Molweight | 579.226 |
| MonoisotopicMass | 576.987813 |
| CLogP | 6.4202 |
| CLogS | -9.186 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 410.78 |
| Relative PSA | 0.24938 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | 0.4714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 15 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N,N'-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide | 2 - N,N'-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[(4-nitrophenyl)methylidene]propanediamide
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