2-(4,5-dichloropyridin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C13H10N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4,5-dichloropyridin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4,5-dichloropyridin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C13H10N4OCl2S |
| Smiles | O=C(CSc(nc1)cc(Cl)c1Cl)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H10Cl2N4OS/c14-10-4-13(17-7-11(10)15)21-8-12(20)19-18-6-9-2-1-3-16-5-9/h1-7H,8H2,(H,19,20) |
| InChIK | UCVXHSJHAGJUHY-UHFFFAOYSA-N |
| TotalMolweight | 341.221 |
| Molweight | 341.221 |
| MonoisotopicMass | 339.995235 |
| CLogP | 2.722 |
| CLogS | -3.908 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.6 |
| Relative PSA | 0.30592 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 4.8128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4,5-dichloropyridin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(4,5-dichloropyridin-2-yl)sulfanyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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