2-benzylsulfanyl-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H21N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H21N2O2ClS |
| Smiles | O=C(CSCc1ccccc1)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C23H21ClN2O2S/c24-22-9-5-4-8-20(22)15-28-21-12-10-18(11-13-21)14-25-26-23(27)17-29-16-19-6-2-1-3-7-19/h1-14H,15-17H2,(H,26,27) |
| InChIK | ZBGKUMDLQJJFHT-UHFFFAOYSA-N |
| TotalMolweight | 424.951 |
| Molweight | 424.951 |
| MonoisotopicMass | 424.101225 |
| CLogP | 5.3453 |
| CLogS | -6.584 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.94 |
| Relative PSA | 0.19188 |
| 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 | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-benzylsulfanyl-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-benzylsulfanyl-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off