N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dichlorobenzamide
Formula:C20H15N3O3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dichlorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dichlorobenzamide |
| MolecularFormula | C20H15N3O3Cl2S |
| Smiles | O=C(CSc1ccc(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)o1)Nc1ccccc1 |
| InChI | InChI=1S/C20H15Cl2N3O3S/c21-13-6-8-16(17(22)10-13)20(27)25-23-11-15-7-9-19(28-15)29-12-18(26)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,24,26)(H,25,27) |
| InChIK | TUNUGZWKGZGZKR-UHFFFAOYSA-N |
| TotalMolweight | 448.329 |
| Molweight | 448.329 |
| MonoisotopicMass | 447.021116 |
| CLogP | 5.06 |
| CLogS | -6.692 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 327.74 |
| Relative PSA | 0.28105 |
| PolarSurfaceArea | 109 |
| Druglikeness | 7.2592 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dichlorobenzamide | 2 - N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]-2,4-dichlorobenzamide
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