| MolName | 4-chloro-N-[2-[(4Z)-4-[(2-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-N-prop-2-enylbenzenesulfonamide |
| MolecularFormula | C25H18N2O4Cl2S |
| Smiles | C=CCN(c(cccc1)c1C(OC1=O)=N/C1=C\c(cccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C25H18Cl2N2O4S/c1-2-15-29(34(31,32)19-13-11-18(26)12-14-19)23-10-6-4-8-20(23)24-28-22(25(30)33-24)16-17-7-3-5-9-21(17)27/h2-14,16H,1,15H2 |
| InChIK | SUWCOVSVYSIYRX-UHFFFAOYSA-N |
| TotalMolweight | 513.4 |
| Molweight | 513.4 |
| MonoisotopicMass | 512.036432 |
| CLogP | 4.6833 |
| CLogS | -7.343 |
| H Acceptors | 6 |
| TotalSurfaceArea | 362.73 |
| Relative PSA | 0.18383 |
| PolarSurfaceArea | 84.42 |
| Druglikeness | 2.8945 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-N-[2-[(4Z)-4-[(2-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-N-prop-2-enylbenzenesulfonamide | 2 - 4-chloro-N-[2-[(4Z)-4-[(2-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-N-prop-2-enylbenzenesulfonamide