(NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-4-fluorobenzenesulfonamide
Formula:C22H19N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-4-fluorobenzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-4-fluorobenzenesulfonamide |
| MolecularFormula | C22H19N2O2FS |
| Smiles | O=S(c(cc1)ccc1F)(/N=C(\c1ccccc1)/N(CC1)Cc2c1cccc2)=O |
| InChI | InChI=1S/C22H19FN2O2S/c23-20-10-12-21(13-11-20)28(26,27)24-22(18-7-2-1-3-8-18)25-15-14-17-6-4-5-9-19(17)16-25/h1-13H,14-16H2 |
| InChIK | BACWFGYXHVVZMA-UHFFFAOYSA-N |
| TotalMolweight | 394.469 |
| Molweight | 394.469 |
| MonoisotopicMass | 394.115126 |
| CLogP | 4.1822 |
| CLogS | -4.337 |
| H Acceptors | 4 |
| TotalSurfaceArea | 288.76 |
| Relative PSA | 0.15113 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 1.4949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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