2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C20H15N2O2BrCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H15N2O2BrCl2S |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C20H15BrCl2N2O2S/c21-14-3-1-2-13(8-14)11-28-12-20(26)25-24-10-16-5-7-19(27-16)17-6-4-15(22)9-18(17)23/h1-10H,11-12H2,(H,25,26) |
| InChIK | LVUZHUOCNVACGW-UHFFFAOYSA-N |
| TotalMolweight | 498.227 |
| Molweight | 498.227 |
| MonoisotopicMass | 495.941463 |
| CLogP | 6.2673 |
| CLogS | -8.273 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.92 |
| Relative PSA | 0.20431 |
| 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 | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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