N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-phenylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide
Formula:C22H21N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-phenylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-2-[4-[(Z)-[(2-phenylsulfanylacetyl)hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C22H21N3O4S |
| Smiles | O=C(COc1ccc(/C=N\NC(CSc2ccccc2)=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C22H21N3O4S/c26-21(23-14-19-5-4-12-28-19)15-29-18-10-8-17(9-11-18)13-24-25-22(27)16-30-20-6-2-1-3-7-20/h1-13H,14-16H2,(H,23,26)(H,25,27) |
| InChIK | RRGSEKODXJGHCR-UHFFFAOYSA-N |
| TotalMolweight | 423.492 |
| Molweight | 423.492 |
| MonoisotopicMass | 423.125277 |
| CLogP | 3.0349 |
| CLogS | -5.053 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.42 |
| Relative PSA | 0.30533 |
| PolarSurfaceArea | 118.23 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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