(3S)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C20H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C20H21N3O4 |
| Smiles | O=C([C@H]1Oc(cccc2)c2OC1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C20H21N3O4/c24-20(19-14-26-17-3-1-2-4-18(17)27-19)22-21-13-15-5-7-16(8-6-15)23-9-11-25-12-10-23/h1-8,13,19H,9-12,14H2,(H,22,24)/t19-/m0/s1 |
| InChIK | QWWCJHYBLNESQU-IBGZPJMESA-N |
| TotalMolweight | 367.404 |
| Molweight | 367.404 |
| MonoisotopicMass | 367.153207 |
| CLogP | 2.4127 |
| CLogS | -3.846 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 281.59 |
| Relative PSA | 0.24703 |
| PolarSurfaceArea | 72.39 |
| Druglikeness | 5.8441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | this enantiomer |
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1 - (3S)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3S)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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