N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexylpentanediamide
Formula:C19H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexylpentanediamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexylpentanediamide |
| MolecularFormula | C19H25N3O4 |
| Smiles | O=C(CCCC(N/N=C\c(cc1)cc2c1OCO2)=O)NC1CCCCC1 |
| InChI | InChI=1S/C19H25N3O4/c23-18(21-15-5-2-1-3-6-15)7-4-8-19(24)22-20-12-14-9-10-16-17(11-14)26-13-25-16/h9-12,15H,1-8,13H2,(H,21,23)(H,22,24) |
| InChIK | IXRKUPUSDYBDDJ-UHFFFAOYSA-N |
| TotalMolweight | 359.425 |
| Molweight | 359.425 |
| MonoisotopicMass | 359.184507 |
| CLogP | 3.4655 |
| CLogS | -5.113 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 285.78 |
| Relative PSA | 0.28172 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -2.114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexylpentanediamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclohexylpentanediamide
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