N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide
Formula:C17H14N2O3Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C17H14N2O3Br2S |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C17H14Br2N2O3S/c18-13-4-2-1-3-11(13)8-25-9-17(22)21-20-7-12-5-15-16(6-14(12)19)24-10-23-15/h1-7H,8-10H2,(H,21,22) |
| InChIK | GKIKNYUNFKVOMM-UHFFFAOYSA-N |
| TotalMolweight | 486.183 |
| Molweight | 486.183 |
| MonoisotopicMass | 483.909185 |
| CLogP | 4.953 |
| CLogS | -6.886 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.52 |
| Relative PSA | 0.25387 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 2.7372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| 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 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(2-bromophenyl)methylsulfanyl]acetamide
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