5-bromo-N-[(Z)-(4-phenylphenyl)methylideneamino]thiophene-2-carboxamide
Formula:C18H13N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(4-phenylphenyl)methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(4-phenylphenyl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C18H13N2OBrS |
| Smiles | O=C(c(s1)ccc1Br)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C18H13BrN2OS/c19-17-11-10-16(23-17)18(22)21-20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-12H,(H,21,22) |
| InChIK | CFDBGRAVMUNRPF-UHFFFAOYSA-N |
| TotalMolweight | 385.284 |
| Molweight | 385.284 |
| MonoisotopicMass | 383.993194 |
| CLogP | 5.6573 |
| CLogS | -6.668 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.32 |
| Relative PSA | 0.21571 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 2.4753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| StereoCon |
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