2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C14H13N2OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H13N2OBrS2 |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C14H13BrN2OS2/c15-12-4-1-3-11(7-12)9-19-10-14(18)17-16-8-13-5-2-6-20-13/h1-8H,9-10H2,(H,17,18) |
| InChIK | SDTYDCWLGQTKMY-UHFFFAOYSA-N |
| TotalMolweight | 369.306 |
| Molweight | 369.306 |
| MonoisotopicMass | 367.965264 |
| CLogP | 3.983 |
| CLogS | -5.351 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 246.57 |
| Relative PSA | 0.29955 |
| PolarSurfaceArea | 95 |
| Druglikeness | 4.225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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