3,5-dibromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-hydroxybenzamide
Formula:C18H10N2O3Br3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5-dibromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-hydroxybenzamide is not a drug-like molecule.
| MolName | 3,5-dibromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C18H10N2O3Br3ClS |
| Smiles | Oc(c(Br)cc(C(N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl)=O)c1)c1Br |
| InChI | InChI=1S/C18H10Br3ClN2O3S/c19-13-5-9(6-14(20)16(13)25)17(26)24-23-8-11-7-15(21)18(27-11)28-12-3-1-10(22)2-4-12/h1-8,25H,(H,24,26) |
| InChIK | DNRYLGPGOSDTJW-UHFFFAOYSA-N |
| TotalMolweight | 609.519 |
| Molweight | 609.519 |
| MonoisotopicMass | 605.765073 |
| CLogP | 6.7447 |
| CLogS | -7.894 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 331.59 |
| Relative PSA | 0.2434 |
| PolarSurfaceArea | 100.13 |
| Druglikeness | -0.59129 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 3,5-dibromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-hydroxybenzamide | 2 - 3,5-dibromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-hydroxybenzamide
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