2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C16H13N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N3O3BrClS |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSCc(cccc2)c2Br)=O)c1Cl)=O |
| InChI | InChI=1S/C16H13BrClN3O3S/c17-14-4-2-1-3-11(14)9-25-10-16(22)20-19-8-12-7-13(21(23)24)5-6-15(12)18/h1-8H,9-10H2,(H,20,22) |
| InChIK | UEUGBYWAHMBUPO-UHFFFAOYSA-N |
| TotalMolweight | 442.72 |
| Molweight | 442.72 |
| MonoisotopicMass | 440.95495 |
| CLogP | 3.8008 |
| CLogS | -6.537 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.72 |
| Relative PSA | 0.28966 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -2.216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
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