| MolName | N-[(Z)-1-(4-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C23H17N4O5ClS2 |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Cl)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O |
| InChI | InChI=1S/C23H17ClN4O5S2/c24-16-5-3-15(4-6-16)14-19(27-22(30)20-2-1-12-33-20)21(29)26-17-7-9-18(10-8-17)35(31,32)28-23-25-11-13-34-23/h1-14H,(H,25,28)(H,26,29)(H,27,30) |
| InChIK | LRXVVBWXTNFNEG-UHFFFAOYSA-N |
| TotalMolweight | 528.996 |
| Molweight | 528.996 |
| MonoisotopicMass | 528.032888 |
| CLogP | 4.1429 |
| CLogS | -6.357 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 375.52 |
| Relative PSA | 0.35812 |
| PolarSurfaceArea | 167.02 |
| Druglikeness | 7.8195 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(4-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(Z)-1-(4-chlorophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]furan-2-carboxamide