N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
Formula:C16H14N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide |
| MolecularFormula | C16H14N4O3S |
| Smiles | N#Cc1c(NC(C(N/N=C\c2ccco2)=O)=O)sc2c1CCCC2 |
| InChI | InChI=1S/C16H14N4O3S/c17-8-12-11-5-1-2-6-13(11)24-16(12)19-14(21)15(22)20-18-9-10-4-3-7-23-10/h3-4,7,9H,1-2,5-6H2,(H,19,21)(H,20,22) |
| InChIK | DMUKVLYMASBRHL-UHFFFAOYSA-N |
| TotalMolweight | 342.378 |
| Molweight | 342.378 |
| MonoisotopicMass | 342.078661 |
| CLogP | 2.3812 |
| CLogS | -5.232 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 265.08 |
| Relative PSA | 0.40946 |
| PolarSurfaceArea | 135.73 |
| Druglikeness | -4.4572 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide | 2 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
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