N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C20H14N3O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C20H14N3O2BrS |
| Smiles | N#Cc1c(COc(cc2)c(/C=N\NC(c3cccs3)=O)cc2Br)cccc1 |
| InChI | InChI=1S/C20H14BrN3O2S/c21-17-7-8-18(26-13-15-5-2-1-4-14(15)11-22)16(10-17)12-23-24-20(25)19-6-3-9-27-19/h1-10,12H,13H2,(H,24,25) |
| InChIK | PGDXRFGNMRKAFE-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 | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| 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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