2-benzylsulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C16H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H15N3O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CSCc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H15N3O3S/c20-16(12-23-11-14-4-2-1-3-5-14)18-17-10-13-6-8-15(9-7-13)19(21)22/h1-10H,11-12H2,(H,18,20) |
| InChIK | DDTPMZIHSZBIRM-UHFFFAOYSA-N |
| TotalMolweight | 329.379 |
| Molweight | 329.379 |
| MonoisotopicMass | 329.083412 |
| CLogP | 2.4696 |
| CLogS | -4.967 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.67 |
| Relative PSA | 0.32824 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.46401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-benzylsulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-benzylsulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off