(E)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
Formula:C23H27N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C23H27N3O5S |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCOCC1 |
| InChI | InChI=1S/C23H27N3O5S/c27-23(9-6-19-4-2-1-3-5-19)24-21-18-20(32(28,29)26-12-16-31-17-13-26)7-8-22(21)25-10-14-30-15-11-25/h1-9,18H,10-17H2,(H,24,27) |
| InChIK | MTYZKNHQHCYIIW-UHFFFAOYSA-N |
| TotalMolweight | 457.549 |
| Molweight | 457.549 |
| MonoisotopicMass | 457.167142 |
| CLogP | 1.8481 |
| CLogS | -2.807 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 340.99 |
| Relative PSA | 0.23514 |
| PolarSurfaceArea | 96.56 |
| Druglikeness | 1.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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