2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H20N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H20N3O4BrS |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(CSCc(cccc3)c3Br)=O)cc2)cc1)=O |
| InChI | InChI=1S/C23H20BrN3O4S/c24-22-4-2-1-3-19(22)15-32-16-23(28)26-25-13-17-7-11-21(12-8-17)31-14-18-5-9-20(10-6-18)27(29)30/h1-13H,14-16H2,(H,26,28) |
| InChIK | IXDWRVRTLHPHEG-UHFFFAOYSA-N |
| TotalMolweight | 514.399 |
| Molweight | 514.399 |
| MonoisotopicMass | 513.035788 |
| CLogP | 4.5429 |
| CLogS | -7.142 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 357.82 |
| Relative PSA | 0.26248 |
| PolarSurfaceArea | 121.81 |
| Druglikeness | -2.5163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
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