3-chloro-N-[(Z)-(1-phenyl-2-pyridin-2-ylsulfanylethylidene)amino]benzamide
Formula:C20H16N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(1-phenyl-2-pyridin-2-ylsulfanylethylidene)amino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(1-phenyl-2-pyridin-2-ylsulfanylethylidene)amino]benzamide |
| MolecularFormula | C20H16N3OClS |
| Smiles | O=C(c1cccc(Cl)c1)N/N=C(\CSc1ncccc1)/c1ccccc1 |
| InChI | InChI=1S/C20H16ClN3OS/c21-17-10-6-9-16(13-17)20(25)24-23-18(15-7-2-1-3-8-15)14-26-19-11-4-5-12-22-19/h1-13H,14H2,(H,24,25) |
| InChIK | CYGAPXXNTXYCJX-UHFFFAOYSA-N |
| TotalMolweight | 381.886 |
| Molweight | 381.886 |
| MonoisotopicMass | 381.070259 |
| CLogP | 4.4986 |
| CLogS | -5.497 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.39 |
| Relative PSA | 0.22201 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 3.6985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-N-[(Z)-(1-phenyl-2-pyridin-2-ylsulfanylethylidene)amino]benzamide | 2 - 3-chloro-N-[(Z)-(1-phenyl-2-pyridin-2-ylsulfanylethylidene)amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off