(3R)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H19N3O4S |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C18H19N3O4S/c22-18(16-12-24-14-3-1-2-4-15(14)25-16)20-19-11-13-5-6-17(26-13)21-7-9-23-10-8-21/h1-6,11,16H,7-10,12H2,(H,20,22)/t16-/m1/s1 |
| InChIK | BNSTWUPSYQGYBM-MRXNPFEDSA-N |
| TotalMolweight | 373.432 |
| Molweight | 373.432 |
| MonoisotopicMass | 373.109627 |
| CLogP | 2.4689 |
| CLogS | -4.006 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.53 |
| Relative PSA | 0.324 |
| PolarSurfaceArea | 100.63 |
| Druglikeness | 7.0258 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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