N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C20H14N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C20H14N3O2BrS |
| Smiles | N#Cc1c(COc(ccc(/C=N\NC(c2cccs2)=O)c2)c2Br)cccc1 |
| InChI | InChI=1S/C20H14BrN3O2S/c21-17-10-14(12-23-24-20(25)19-6-3-9-27-19)7-8-18(17)26-13-16-5-2-1-4-15(16)11-22/h1-10,12H,13H2,(H,24,25) |
| InChIK | NIOUBZIYSHOTIH-UHFFFAOYSA-N |
| TotalMolweight | 440.32 |
| Molweight | 440.32 |
| MonoisotopicMass | 438.999008 |
| CLogP | 4.9771 |
| CLogS | -6.679 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.79 |
| Relative PSA | 0.26054 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | -0.16132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide
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