| MolName | (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide |
| MolecularFormula | C26H23N4O3FS |
| Smiles | NS(c1ccc(CCNC(/C=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=O)cc1)(=O)=O |
| InChI | InChI=1S/C26H23FN4O3S/c27-22-11-8-20(9-12-22)26-21(18-31(30-26)23-4-2-1-3-5-23)10-15-25(32)29-17-16-19-6-13-24(14-7-19)35(28,33)34/h1-15,18H,16-17H2,(H,29,32)(H2,28,33,34) |
| InChIK | LSUFINSSXJYEQU-UHFFFAOYSA-N |
| TotalMolweight | 490.558 |
| Molweight | 490.558 |
| MonoisotopicMass | 490.147489 |
| CLogP | 3.0596 |
| CLogS | -5.152 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 367.18 |
| Relative PSA | 0.23473 |
| PolarSurfaceArea | 115.46 |
| Druglikeness | 4.5777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide | 2 - (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide