2-benzylsulfanyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C23H22N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H22N2O2S |
| Smiles | O=C(CSCc1ccccc1)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H22N2O2S/c26-23(18-28-17-20-11-5-2-6-12-20)25-24-15-21-13-7-8-14-22(21)27-16-19-9-3-1-4-10-19/h1-15H,16-18H2,(H,25,26) |
| InChIK | CLLNPIBGVXNLRQ-UHFFFAOYSA-N |
| TotalMolweight | 390.506 |
| Molweight | 390.506 |
| MonoisotopicMass | 390.140198 |
| CLogP | 4.7393 |
| CLogS | -5.848 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.52 |
| Relative PSA | 0.20126 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.3497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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)-(2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-benzylsulfanyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off