(4Z)-4-[(4-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,3-oxazol-5-one
Formula:C21H12N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,3-oxazol-5-one |
| MolecularFormula | C21H12N2O2Cl2S |
| Smiles | O=C1OC(c2cccnc2Sc(cc2)ccc2Cl)=N/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H12Cl2N2O2S/c22-14-5-3-13(4-6-14)12-18-21(26)27-19(25-18)17-2-1-11-24-20(17)28-16-9-7-15(23)8-10-16/h1-12H |
| InChIK | ULVIUXCFGJZQLU-UHFFFAOYSA-N |
| TotalMolweight | 427.31 |
| Molweight | 427.31 |
| MonoisotopicMass | 425.999652 |
| CLogP | 4.7214 |
| CLogS | -6.145 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.8 |
| Relative PSA | 0.20878 |
| PolarSurfaceArea | 76.85 |
| Druglikeness | 1.3632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(4-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,3-oxazol-5-one | 2 - (4Z)-4-[(4-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off