2-(4-chlorophenoxy)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide
Formula:C19H14N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N5O4ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(cc1)ccc1Cl)=O)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C19H14ClN5O4S/c20-14-3-5-15(6-4-14)29-12-18(26)24-23-11-13-2-7-17(16(10-13)25(27)28)30-19-21-8-1-9-22-19/h1-11H,12H2,(H,24,26) |
| InChIK | CFKKRWPLSCXJBG-UHFFFAOYSA-N |
| TotalMolweight | 443.87 |
| Molweight | 443.87 |
| MonoisotopicMass | 443.045502 |
| CLogP | 2.9609 |
| CLogS | -5.248 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 324.61 |
| Relative PSA | 0.35692 |
| PolarSurfaceArea | 147.59 |
| Druglikeness | -0.60006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]acetamide
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