N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
Formula:C20H15N4O5BrCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide |
| MolecularFormula | C20H15N4O5BrCl2S |
| Smiles | O=C(C(N/N=C\c1ccc(CNS(c(cc2)ccc2Br)(=O)=O)o1)=O)Nc1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C20H15BrCl2N4O5S/c21-12-1-5-18(6-2-12)33(30,31)25-11-17-4-3-16(32-17)10-24-27-20(29)19(28)26-15-8-13(22)7-14(23)9-15/h1-10,25H,11H2,(H,26,28)(H,27,29) |
| InChIK | VCUYKHQQSDQKEK-UHFFFAOYSA-N |
| TotalMolweight | 574.238 |
| Molweight | 574.238 |
| MonoisotopicMass | 571.932356 |
| CLogP | 3.8673 |
| CLogS | -6.413 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 368.92 |
| Relative PSA | 0.3108 |
| PolarSurfaceArea | 138.25 |
| Druglikeness | 1.5342 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide | 2 - N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
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