2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C15H14N3OBrS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C15H14N3OBrS |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C15H14BrN3OS/c16-14-7-2-1-5-12(14)10-21-11-15(20)19-18-9-13-6-3-4-8-17-13/h1-9H,10-11H2,(H,19,20) |
| InChIK | WACIFCBJNRQWMC-UHFFFAOYSA-N |
| TotalMolweight | 364.266 |
| Molweight | 364.266 |
| MonoisotopicMass | 363.004093 |
| CLogP | 3.1695 |
| CLogS | -4.57 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.39 |
| Relative PSA | 0.25851 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 2.8785 |
| Mutagenic | low |
| 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 | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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