N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)methylsulfanyl]acetamide
Formula:C16H15N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C16H15N2OBrS |
| Smiles | O=C(CSCc(cc1)ccc1Br)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H15BrN2OS/c17-15-8-6-14(7-9-15)11-21-12-16(20)19-18-10-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,20) |
| InChIK | KQPLBEHQNYDNEK-UHFFFAOYSA-N |
| TotalMolweight | 363.278 |
| Molweight | 363.278 |
| MonoisotopicMass | 362.008844 |
| CLogP | 4.1164 |
| CLogS | -5.341 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 250.63 |
| Relative PSA | 0.21346 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 2.8785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)methylsulfanyl]acetamide
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