3-morpholin-4-ylsulfonyl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Formula:C18H14N3O4F5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C18H14N3O4F5S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C18H14F5N3O4S/c19-13-12(14(20)16(22)17(23)15(13)21)9-24-25-18(27)10-2-1-3-11(8-10)31(28,29)26-4-6-30-7-5-26/h1-3,8-9H,4-7H2,(H,25,27) |
| InChIK | YOCZTKMBEOXKIX-UHFFFAOYSA-N |
| TotalMolweight | 463.382 |
| Molweight | 463.382 |
| MonoisotopicMass | 463.062517 |
| CLogP | 2.7484 |
| CLogS | -4.497 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309.16 |
| Relative PSA | 0.25275 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -9.4704 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 3-morpholin-4-ylsulfonyl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide | 2 - 3-morpholin-4-ylsulfonyl-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
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