(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C28H25N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C28H25N4O4FS |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc(cc1)ccc1S(N1CCOCC1)(=O)=O |
| InChI | InChI=1S/C28H25FN4O4S/c29-23-9-6-21(7-10-23)28-22(20-33(31-28)25-4-2-1-3-5-25)8-15-27(34)30-24-11-13-26(14-12-24)38(35,36)32-16-18-37-19-17-32/h1-15,20H,16-19H2,(H,30,34) |
| InChIK | XCPBZNLWKSMLBI-UHFFFAOYSA-N |
| TotalMolweight | 532.595 |
| Molweight | 532.595 |
| MonoisotopicMass | 532.158054 |
| CLogP | 3.1989 |
| CLogS | -4.531 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 392.98 |
| Relative PSA | 0.21495 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 4.6759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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