2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H20N2O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H20N2O2BrClS |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C23H20BrClN2O2S/c24-20-6-3-4-18(12-20)15-30-16-23(28)27-26-13-17-8-10-21(11-9-17)29-14-19-5-1-2-7-22(19)25/h1-13H,14-16H2,(H,27,28) |
| InChIK | ANSHGRJKEXDOIA-UHFFFAOYSA-N |
| TotalMolweight | 503.847 |
| Molweight | 503.847 |
| MonoisotopicMass | 502.011736 |
| CLogP | 6.0705 |
| CLogS | -7.418 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 349.57 |
| Relative PSA | 0.18165 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 2.6032 |
| 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 | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
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