N'-[(Z)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide
Formula:C14H13N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide |
| MolecularFormula | C14H13N5O4S |
| Smiles | NS(c(cc1)ccc1NC(C(N/N=C\c1cnccc1)=O)=O)(=O)=O |
| InChI | InChI=1S/C14H13N5O4S/c15-24(22,23)12-5-3-11(4-6-12)18-13(20)14(21)19-17-9-10-2-1-7-16-8-10/h1-9H,(H,18,20)(H,19,21)(H2,15,22,23) |
| InChIK | NYOQJQAEBSEUJV-UHFFFAOYSA-N |
| TotalMolweight | 347.354 |
| Molweight | 347.354 |
| MonoisotopicMass | 347.068825 |
| CLogP | -0.093 |
| CLogS | -2.629 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 252.06 |
| Relative PSA | 0.45755 |
| PolarSurfaceArea | 151.99 |
| Druglikeness | 6.1682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide | 2 - N'-[(Z)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide
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