N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
Formula:C17H12N3O4BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide |
| MolecularFormula | C17H12N3O4BrCl2 |
| Smiles | O=C(CC(N/N=C\c(cc1OCOc1c1)c1Br)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C17H12BrCl2N3O4/c18-11-5-15-14(26-8-27-15)3-9(11)7-21-23-17(25)6-16(24)22-10-1-2-12(19)13(20)4-10/h1-5,7H,6,8H2,(H,22,24)(H,23,25) |
| InChIK | LBEJLHGRMRYCHS-UHFFFAOYSA-N |
| TotalMolweight | 473.109 |
| Molweight | 473.109 |
| MonoisotopicMass | 470.938822 |
| CLogP | 4.6469 |
| CLogS | -6.812 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 299.69 |
| Relative PSA | 0.26864 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 0.1533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide | 2 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
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