N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
Formula:C20H15N5O8S4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C20H15N5O8S4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(NS(c3cccs3)(=O)=O)cc(NS(c3cccs3)(=O)=O)c2)=O)o1)=O |
| InChI | InChI=1S/C20H15N5O8S4/c26-20(22-21-12-16-5-6-17(33-16)25(27)28)13-9-14(23-36(29,30)18-3-1-7-34-18)11-15(10-13)24-37(31,32)19-4-2-8-35-19/h1-12,23-24H,(H,22,26) |
| InChIK | YEBCDTHTIYBIIC-UHFFFAOYSA-N |
| TotalMolweight | 581.63 |
| Molweight | 581.63 |
| MonoisotopicMass | 580.980345 |
| CLogP | 2.3965 |
| CLogS | -6.888 |
| H Acceptors | 13 |
| H Donors | 3 |
| TotalSurfaceArea | 391.83 |
| Relative PSA | 0.51385 |
| PolarSurfaceArea | 266 |
| Druglikeness | -0.84032 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 17 |
| Electronegative Atoms | 17 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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