N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C15H13N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C15H13N5O2S |
| Smiles | N#CCOc1ccc(/C=N\NC(CSc2ncccn2)=O)cc1 |
| InChI | InChI=1S/C15H13N5O2S/c16-6-9-22-13-4-2-12(3-5-13)10-19-20-14(21)11-23-15-17-7-1-8-18-15/h1-5,7-8,10H,9,11H2,(H,20,21) |
| InChIK | CEJHAECEDSWVQZ-UHFFFAOYSA-N |
| TotalMolweight | 327.367 |
| Molweight | 327.367 |
| MonoisotopicMass | 327.078995 |
| CLogP | 1.6752 |
| CLogS | -3.494 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 261.23 |
| Relative PSA | 0.37898 |
| PolarSurfaceArea | 125.56 |
| Druglikeness | 0.16509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.78261 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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