N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C17H18N5O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C17H18N5O2F3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C17H18F3N5O2/c18-17(19,20)15-5-6-25(23-15)12-16(26)22-21-11-13-1-3-14(4-2-13)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,26) |
| InChIK | HIYKXPSWUCKZAM-UHFFFAOYSA-N |
| TotalMolweight | 381.357 |
| Molweight | 381.357 |
| MonoisotopicMass | 381.141259 |
| CLogP | 1.3298 |
| CLogS | -2.86 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.01 |
| Relative PSA | 0.24071 |
| PolarSurfaceArea | 71.75 |
| Druglikeness | -5.6568 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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