N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide
Formula:C15H14N3O2BrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide |
| MolecularFormula | C15H14N3O2BrS |
| Smiles | O=C(CCC(N/N=C\c1cccs1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C15H14BrN3O2S/c16-11-3-5-12(6-4-11)18-14(20)7-8-15(21)19-17-10-13-2-1-9-22-13/h1-6,9-10H,7-8H2,(H,18,20)(H,19,21) |
| InChIK | QAYIGMKHVXUKOC-UHFFFAOYSA-N |
| TotalMolweight | 380.265 |
| Molweight | 380.265 |
| MonoisotopicMass | 378.999008 |
| CLogP | 3.6445 |
| CLogS | -4.909 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.29 |
| Relative PSA | 0.3131 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 3.4186 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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