2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
Formula:C27H23N2O2ClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C27H23N2O2ClS |
| Smiles | O=C(CSCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C27H23ClN2O2S/c28-24-12-8-21(9-13-24)18-33-19-27(31)30-29-16-20-10-14-25(15-11-20)32-17-23-6-3-5-22-4-1-2-7-26(22)23/h1-16H,17-19H2,(H,30,31) |
| InChIK | FUQPFTAROQRITN-UHFFFAOYSA-N |
| TotalMolweight | 475.011 |
| Molweight | 475.011 |
| MonoisotopicMass | 474.116875 |
| CLogP | 6.5397 |
| CLogS | -8.19 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 365.54 |
| Relative PSA | 0.17372 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.3932 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
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