N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
Formula:C17H14N2O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C17H14N2O3BrClS |
| Smiles | O=C(CSCc(cc1)ccc1Cl)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C17H14BrClN2O3S/c18-14-6-16-15(23-10-24-16)5-12(14)7-20-21-17(22)9-25-8-11-1-3-13(19)4-2-11/h1-7H,8-10H2,(H,21,22) |
| InChIK | XLNDLMPWHBCYPO-UHFFFAOYSA-N |
| TotalMolweight | 441.732 |
| Molweight | 441.732 |
| MonoisotopicMass | 439.959701 |
| CLogP | 4.8338 |
| CLogS | -6.788 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.31 |
| Relative PSA | 0.25671 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 2.7752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
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