2-(4-chlorophenoxy)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
Formula:C17H18N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C17H18N3O3ClS |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C17H18ClN3O3S/c18-13-1-3-14(4-2-13)24-12-16(22)20-19-11-15-5-6-17(25-15)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22) |
| InChIK | ZRINTBCEIWZPKJ-UHFFFAOYSA-N |
| TotalMolweight | 379.867 |
| Molweight | 379.867 |
| MonoisotopicMass | 379.075739 |
| CLogP | 3.1077 |
| CLogS | -4.5 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 283.95 |
| Relative PSA | 0.28146 |
| PolarSurfaceArea | 91.4 |
| Druglikeness | 6.4591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
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