2-bromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C18H11N2O2Br2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H11N2O2Br2ClS |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H11Br2ClN2O2S/c19-15-4-2-1-3-14(15)17(24)23-22-10-12-9-16(20)18(25-12)26-13-7-5-11(21)6-8-13/h1-10H,(H,23,24) |
| InChIK | FUSJFCWPEJIXIK-UHFFFAOYSA-N |
| TotalMolweight | 514.624 |
| Molweight | 514.624 |
| MonoisotopicMass | 511.859647 |
| CLogP | 6.3652 |
| CLogS | -7.356 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.61 |
| Relative PSA | 0.22051 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -0.5949 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-bromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
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