N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
Formula:C20H16N2O2BrClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C20H16N2O2BrClS |
| Smiles | O=C(CSCc(cc1)ccc1Cl)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C20H16BrClN2O2S/c21-16-5-3-15(4-6-16)19-10-9-18(26-19)11-23-24-20(25)13-27-12-14-1-7-17(22)8-2-14/h1-11H,12-13H2,(H,24,25) |
| InChIK | RYFALXJIXIZBHT-UHFFFAOYSA-N |
| TotalMolweight | 463.782 |
| Molweight | 463.782 |
| MonoisotopicMass | 461.980436 |
| CLogP | 5.6613 |
| CLogS | -7.537 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.5 |
| Relative PSA | 0.21429 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 4.9854 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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