3-morpholin-4-ylsulfonyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C19H18N3O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C19H18N3O4F3S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C19H18F3N3O4S/c20-19(21,22)16-6-4-14(5-7-16)13-23-24-18(26)15-2-1-3-17(12-15)30(27,28)25-8-10-29-11-9-25/h1-7,12-13H,8-11H2,(H,24,26) |
| InChIK | UGQSNUHYTJDXPY-UHFFFAOYSA-N |
| TotalMolweight | 441.429 |
| Molweight | 441.429 |
| MonoisotopicMass | 441.097011 |
| CLogP | 3.0927 |
| CLogS | -3.705 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.87 |
| Relative PSA | 0.25464 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -7.0518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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