(E)-3-(4-fluorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C23H26N3O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C23H26N3O5FS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCOCC1 |
| InChI | InChI=1S/C23H26FN3O5S/c24-19-4-1-18(2-5-19)3-8-23(28)25-21-17-20(33(29,30)27-11-15-32-16-12-27)6-7-22(21)26-9-13-31-14-10-26/h1-8,17H,9-16H2,(H,25,28) |
| InChIK | VBMUATNAXCTITA-UHFFFAOYSA-N |
| TotalMolweight | 475.539 |
| Molweight | 475.539 |
| MonoisotopicMass | 475.15772 |
| CLogP | 1.9489 |
| CLogS | -3.121 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 347.34 |
| Relative PSA | 0.23084 |
| PolarSurfaceArea | 96.56 |
| Druglikeness | 1.5389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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