2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
Formula:C27H23N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C27H23N2O2ClS |
| Smiles | O=C(CSCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc1cc2ccccc2cc1 |
| InChI | InChI=1S/C27H23ClN2O2S/c28-25-11-6-21(7-12-25)18-33-19-27(31)30-29-16-20-8-13-26(14-9-20)32-17-22-5-10-23-3-1-2-4-24(23)15-22/h1-16H,17-19H2,(H,30,31) |
| InChIK | FMMMQHJZOJKOFP-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 | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| 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 |
Click to Load Molecule:
1 - 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide | 2 - 2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off