N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
Formula:C20H19N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C20H19N5O4S |
| Smiles | O=C(COc1ccc(/C=N\NC(CSc2ncccn2)=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C20H19N5O4S/c26-18(23-12-17-3-1-10-28-17)13-29-16-6-4-15(5-7-16)11-24-25-19(27)14-30-20-21-8-2-9-22-20/h1-11H,12-14H2,(H,23,26)(H,25,27) |
| InChIK | BJRLASYWCDNAHB-UHFFFAOYSA-N |
| TotalMolweight | 425.468 |
| Molweight | 425.468 |
| MonoisotopicMass | 425.115775 |
| CLogP | 1.7138 |
| CLogS | -3.818 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 331.94 |
| Relative PSA | 0.37371 |
| PolarSurfaceArea | 144.01 |
| Druglikeness | 5.51 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide | 2 - N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
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