N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-nitrophenyl)oxamide
Formula:C20H16N5O7BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-nitrophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-nitrophenyl)oxamide |
| MolecularFormula | C20H16N5O7BrS |
| Smiles | [O-][N+](c(cc1)ccc1NC(C(N/N=C\c1ccc(CNS(c(cc2)ccc2Br)(=O)=O)o1)=O)=O)=O |
| InChI | InChI=1S/C20H16BrN5O7S/c21-13-1-9-18(10-2-13)34(31,32)23-12-17-8-7-16(33-17)11-22-25-20(28)19(27)24-14-3-5-15(6-4-14)26(29)30/h1-11,23H,12H2,(H,24,27)(H,25,28) |
| InChIK | DWQSPYLSAFFFPC-UHFFFAOYSA-N |
| TotalMolweight | 550.345 |
| Molweight | 550.345 |
| MonoisotopicMass | 548.995381 |
| CLogP | 1.7337 |
| CLogS | -5.401 |
| H Acceptors | 12 |
| H Donors | 3 |
| TotalSurfaceArea | 361.75 |
| Relative PSA | 0.40105 |
| PolarSurfaceArea | 184.07 |
| Druglikeness | -10.016 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-nitrophenyl)oxamide | 2 - N'-[(Z)-[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-(4-nitrophenyl)oxamide
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