2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C16H14N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H14N2OBrClS |
| Smiles | O=C(CSCc(cc1)ccc1Br)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H14BrClN2OS/c17-14-5-1-13(2-6-14)10-22-11-16(21)20-19-9-12-3-7-15(18)8-4-12/h1-9H,10-11H2,(H,20,21) |
| InChIK | KKMBJEQWRSLBMG-UHFFFAOYSA-N |
| TotalMolweight | 397.723 |
| Molweight | 397.723 |
| MonoisotopicMass | 395.969871 |
| CLogP | 4.7224 |
| CLogS | -6.077 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.05 |
| Relative PSA | 0.20109 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 2.9046 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
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