N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-cyclohexylpropanediamide
Formula:C17H20N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-cyclohexylpropanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-cyclohexylpropanediamide |
| MolecularFormula | C17H20N3O4Br |
| Smiles | O=C(CC(N/N=C\c(cc1OCOc1c1)c1Br)=O)NC1CCCCC1 |
| InChI | InChI=1S/C17H20BrN3O4/c18-13-7-15-14(24-10-25-15)6-11(13)9-19-21-17(23)8-16(22)20-12-4-2-1-3-5-12/h6-7,9,12H,1-5,8,10H2,(H,20,22)(H,21,23) |
| InChIK | QWHRBLGOGUJXOY-UHFFFAOYSA-N |
| TotalMolweight | 410.267 |
| Molweight | 410.267 |
| MonoisotopicMass | 409.063718 |
| CLogP | 3.2819 |
| CLogS | -5.407 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.89 |
| Relative PSA | 0.29077 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -4.1278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-cyclohexylpropanediamide | 2 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-cyclohexylpropanediamide
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