N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]furan-2-carboxamide
Formula:C17H10N4O5S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C17H10N4O5S2 |
| Smiles | [O-][N+](c(cc1)cc2c1nc(Sc1ccc(/C=N\NC(c3ccco3)=O)o1)s2)=O |
| InChI | InChI=1S/C17H10N4O5S2/c22-16(13-2-1-7-25-13)20-18-9-11-4-6-15(26-11)28-17-19-12-5-3-10(21(23)24)8-14(12)27-17/h1-9H,(H,20,22) |
| InChIK | GGSNVVYBBQATBO-UHFFFAOYSA-N |
| TotalMolweight | 414.421 |
| Molweight | 414.421 |
| MonoisotopicMass | 414.009261 |
| CLogP | 3.0778 |
| CLogS | -5.93 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 296.59 |
| Relative PSA | 0.48373 |
| PolarSurfaceArea | 179.99 |
| Druglikeness | 1.494 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]furan-2-carboxamide
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