| MolName | N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide |
| MolecularFormula | C25H19N4O4ClS2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1Cl)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O |
| InChI | InChI=1S/C25H19ClN4O4S2/c26-21-9-5-4-8-18(21)16-22(29-23(31)17-6-2-1-3-7-17)24(32)28-19-10-12-20(13-11-19)36(33,34)30-25-27-14-15-35-25/h1-16H,(H,27,30)(H,28,32)(H,29,31) |
| InChIK | HKRNFCAGBKRKKF-UHFFFAOYSA-N |
| TotalMolweight | 539.035 |
| Molweight | 539.035 |
| MonoisotopicMass | 538.053623 |
| CLogP | 4.9542 |
| CLogS | -6.675 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 385.83 |
| Relative PSA | 0.31198 |
| PolarSurfaceArea | 153.88 |
| Druglikeness | 7.8541 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide