N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
Formula:C23H20N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C23H20N2O2Cl2S |
| Smiles | O=C(CSCc1cc(Cl)ccc1)N/N=C\c(cccc1)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C23H20Cl2N2O2S/c24-20-9-5-6-17(12-20)15-30-16-23(28)27-26-13-18-7-2-4-11-22(18)29-14-19-8-1-3-10-21(19)25/h1-13H,14-16H2,(H,27,28) |
| InChIK | ZJKNZCPQOZNQGK-UHFFFAOYSA-N |
| TotalMolweight | 459.396 |
| Molweight | 459.396 |
| MonoisotopicMass | 458.062252 |
| CLogP | 5.9513 |
| CLogS | -7.32 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 346.36 |
| Relative PSA | 0.18334 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.3932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| 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 |
| StereoCon |
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1 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
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