N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
Formula:C16H13N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide |
| MolecularFormula | C16H13N4O4Br |
| Smiles | O=C(C(N/N=C\c(cc1OCOc1c1)c1Br)=O)NCc1cnccc1 |
| InChI | InChI=1S/C16H13BrN4O4/c17-12-5-14-13(24-9-25-14)4-11(12)8-20-21-16(23)15(22)19-7-10-2-1-3-18-6-10/h1-6,8H,7,9H2,(H,19,22)(H,21,23) |
| InChIK | FZMCPIPIPIIALK-UHFFFAOYSA-N |
| TotalMolweight | 405.207 |
| Molweight | 405.207 |
| MonoisotopicMass | 404.012017 |
| CLogP | 1.689 |
| CLogS | -4.091 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 267.61 |
| Relative PSA | 0.34184 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 2.1061 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide | 2 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
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