N-(furan-2-ylmethyl)-2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
Formula:C21H20N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-(furan-2-ylmethyl)-2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-2-[4-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C21H20N4O3S |
| Smiles | O=C(COc1ccc(/C=N\NC(Nc2ccccc2)=S)cc1)NCc1ccco1 |
| InChI | InChI=1S/C21H20N4O3S/c26-20(22-14-19-7-4-12-27-19)15-28-18-10-8-16(9-11-18)13-23-25-21(29)24-17-5-2-1-3-6-17/h1-13H,14-15H2,(H,22,26)(H2,24,25,29) |
| InChIK | SOWCJEJQECJCPE-UHFFFAOYSA-N |
| TotalMolweight | 408.481 |
| Molweight | 408.481 |
| MonoisotopicMass | 408.125611 |
| CLogP | 3.2127 |
| CLogS | -5.111 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 329.59 |
| Relative PSA | 0.3369 |
| PolarSurfaceArea | 119.98 |
| Druglikeness | 3.7712 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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