N-[(Z)-(3-morpholin-4-ylsulfonylphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Formula:C16H19N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-morpholin-4-ylsulfonylphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-morpholin-4-ylsulfonylphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
| MolecularFormula | C16H19N3O6S |
| Smiles | O=C(C1=COCCO1)N/N=C\c1cccc(S(N2CCOCC2)(=O)=O)c1 |
| InChI | InChI=1S/C16H19N3O6S/c20-16(15-12-24-8-9-25-15)18-17-11-13-2-1-3-14(10-13)26(21,22)19-4-6-23-7-5-19/h1-3,10-12H,4-9H2,(H,18,20) |
| InChIK | SWJRDMTUBUOUNH-UHFFFAOYSA-N |
| TotalMolweight | 381.408 |
| Molweight | 381.408 |
| MonoisotopicMass | 381.099457 |
| CLogP | -0.0431 |
| CLogS | -2.077 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 276.38 |
| Relative PSA | 0.35509 |
| PolarSurfaceArea | 114.91 |
| Druglikeness | -5.2666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3-morpholin-4-ylsulfonylphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide | 2 - N-[(Z)-(3-morpholin-4-ylsulfonylphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
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