2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
Formula:C27H23N2O2BrS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C27H23N2O2BrS |
| Smiles | O=C(CSCc(cccc1)c1Br)N/N=C\c(cc1)ccc1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C27H23BrN2O2S/c28-26-11-4-2-7-23(26)18-33-19-27(31)30-29-16-20-12-14-24(15-13-20)32-17-22-9-5-8-21-6-1-3-10-25(21)22/h1-16H,17-19H2,(H,30,31) |
| InChIK | ZBYSGPNGLDAIEU-UHFFFAOYSA-N |
| TotalMolweight | 519.462 |
| Molweight | 519.462 |
| MonoisotopicMass | 518.066359 |
| CLogP | 6.6589 |
| CLogS | -8.288 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 368.75 |
| Relative PSA | 0.1722 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 2.5597 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 2 |
| StereoCon |
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1 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
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