(E)-3-(3-bromophenyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
Formula:C24H28N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromophenyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-bromophenyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C24H28N3O4BrS |
| Smiles | O=C(/C=C/c1cccc(Br)c1)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCCCC1 |
| InChI | InChI=1S/C24H28BrN3O4S/c25-20-6-4-5-19(17-20)7-10-24(29)26-22-18-21(33(30,31)28-13-15-32-16-14-28)8-9-23(22)27-11-2-1-3-12-27/h4-10,17-18H,1-3,11-16H2,(H,26,29) |
| InChIK | MSQQNMZAZKXFNL-UHFFFAOYSA-N |
| TotalMolweight | 534.473 |
| Molweight | 534.473 |
| MonoisotopicMass | 533.098388 |
| CLogP | 3.7373 |
| CLogS | -4.53 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 363.38 |
| Relative PSA | 0.19313 |
| PolarSurfaceArea | 87.33 |
| Druglikeness | -2.764 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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