N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C18H19N4O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C18H19N4O2F3S |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C18H19F3N4O2S/c19-18(20,21)13-2-1-3-14(10-13)22-12-16(26)24-23-11-15-4-5-17(28-15)25-6-8-27-9-7-25/h1-5,10-11,22H,6-9,12H2,(H,24,26) |
| InChIK | JOEDOZLQGUMHRB-UHFFFAOYSA-N |
| TotalMolweight | 412.435 |
| Molweight | 412.435 |
| MonoisotopicMass | 412.11808 |
| CLogP | 3.067 |
| CLogS | -4.584 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.45 |
| Relative PSA | 0.27176 |
| PolarSurfaceArea | 94.2 |
| Druglikeness | -0.58916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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