N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylpropanediamide
Formula:C18H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylpropanediamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylpropanediamide |
| MolecularFormula | C18H17N3O4 |
| Smiles | O=C(CC(N/N=C\c(cc1)cc2c1OCO2)=O)NCc1ccccc1 |
| InChI | InChI=1S/C18H17N3O4/c22-17(19-10-13-4-2-1-3-5-13)9-18(23)21-20-11-14-6-7-15-16(8-14)25-12-24-15/h1-8,11H,9-10,12H2,(H,19,22)(H,21,23) |
| InChIK | OJIGRHIYSKTYNO-UHFFFAOYSA-N |
| TotalMolweight | 339.35 |
| Molweight | 339.35 |
| MonoisotopicMass | 339.121907 |
| CLogP | 2.4191 |
| CLogS | -4.322 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 263.98 |
| Relative PSA | 0.30499 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 2.265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylpropanediamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-benzylpropanediamide
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