2-benzylsulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C16H14N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H14N2OCl2S |
| Smiles | O=C(CSCc1ccccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H14Cl2N2OS/c17-14-7-6-13(8-15(14)18)9-19-20-16(21)11-22-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21) |
| InChIK | KFUCERPIJFTDKJ-UHFFFAOYSA-N |
| TotalMolweight | 353.272 |
| Molweight | 353.272 |
| MonoisotopicMass | 352.020387 |
| CLogP | 4.6032 |
| CLogS | -5.979 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.84 |
| Relative PSA | 0.20355 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.6946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| 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 | 2 |
| StereoCon |
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1 - 2-benzylsulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-benzylsulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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