N-phenyl-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide
Formula:C15H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide is a drug-like molecule.
| MolName | N-phenyl-N'-[(Z)-thiophen-2-ylmethylideneamino]butanediamide |
| MolecularFormula | C15H15N3O2S |
| Smiles | O=C(CCC(N/N=C\c1cccs1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C15H15N3O2S/c19-14(17-12-5-2-1-3-6-12)8-9-15(20)18-16-11-13-7-4-10-21-13/h1-7,10-11H,8-9H2,(H,17,19)(H,18,20) |
| InChIK | CWVWBVSBHIBTGZ-UHFFFAOYSA-N |
| TotalMolweight | 301.369 |
| Molweight | 301.369 |
| MonoisotopicMass | 301.088497 |
| CLogP | 2.9193 |
| CLogS | -4.075 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 239.66 |
| Relative PSA | 0.33744 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 5.2086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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