N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
Formula:C15H13N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide |
| MolecularFormula | C15H13N4O2Br |
| Smiles | O=C(C(N/N=C\c1cccc(Br)c1)=O)NCc1ncccc1 |
| InChI | InChI=1S/C15H13BrN4O2/c16-12-5-3-4-11(8-12)9-19-20-15(22)14(21)18-10-13-6-1-2-7-17-13/h1-9H,10H2,(H,18,21)(H,20,22) |
| InChIK | DLHCINURDDFKFM-UHFFFAOYSA-N |
| TotalMolweight | 361.198 |
| Molweight | 361.198 |
| MonoisotopicMass | 360.022187 |
| CLogP | 1.6316 |
| CLogS | -3.404 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.35 |
| Relative PSA | 0.28898 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 2.2579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide | 2 - N'-[(Z)-(3-bromophenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
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