2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C16H13N2OBrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N2OBrCl2S |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H13BrCl2N2OS/c17-13-3-1-2-11(6-13)9-23-10-16(22)21-20-8-12-4-5-14(18)7-15(12)19/h1-8H,9-10H2,(H,21,22) |
| InChIK | DYQVNYLSQOWSDO-UHFFFAOYSA-N |
| TotalMolweight | 432.168 |
| Molweight | 432.168 |
| MonoisotopicMass | 429.930898 |
| CLogP | 5.3284 |
| CLogS | -6.813 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 281.47 |
| Relative PSA | 0.19007 |
| 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 | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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