N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C18H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C18H19N3O4S |
| Smiles | O=C(COc1ccc(/C=N\NC(c2cccs2)=O)cc1)N1CCOCC1 |
| InChI | InChI=1S/C18H19N3O4S/c22-17(21-7-9-24-10-8-21)13-25-15-5-3-14(4-6-15)12-19-20-18(23)16-2-1-11-26-16/h1-6,11-12H,7-10,13H2,(H,20,23) |
| InChIK | RGJSQLMWDXDGIG-UHFFFAOYSA-N |
| TotalMolweight | 373.432 |
| Molweight | 373.432 |
| MonoisotopicMass | 373.109627 |
| CLogP | 2.3174 |
| CLogS | -3.221 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 286.28 |
| Relative PSA | 0.32472 |
| PolarSurfaceArea | 108.47 |
| Druglikeness | 7.5595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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