N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-bromophenyl)pentanediamide
Formula:C19H18N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-bromophenyl)pentanediamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-bromophenyl)pentanediamide |
| MolecularFormula | C19H18N3O4Br |
| Smiles | O=C(CCCC(N/N=C\c(cc1)cc2c1OCO2)=O)Nc(cccc1)c1Br |
| InChI | InChI=1S/C19H18BrN3O4/c20-14-4-1-2-5-15(14)22-18(24)6-3-7-19(25)23-21-11-13-8-9-16-17(10-13)27-12-26-16/h1-2,4-5,8-11H,3,6-7,12H2,(H,22,24)(H,23,25) |
| InChIK | OLSZFJNNOPFWKY-UHFFFAOYSA-N |
| TotalMolweight | 432.273 |
| Molweight | 432.273 |
| MonoisotopicMass | 431.048068 |
| CLogP | 4.3437 |
| CLogS | -5.88 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 296.37 |
| Relative PSA | 0.27165 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -2.6104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-bromophenyl)pentanediamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-bromophenyl)pentanediamide
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