N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C15H16N5O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C15H16N5O2F3S |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C15H16F3N5O2S/c16-15(17,18)12-3-4-23(21-12)10-13(24)20-19-9-11-1-2-14(26-11)22-5-7-25-8-6-22/h1-4,9H,5-8,10H2,(H,20,24) |
| InChIK | ZPJDFOPLHNDCSD-UHFFFAOYSA-N |
| TotalMolweight | 387.385 |
| Molweight | 387.385 |
| MonoisotopicMass | 387.097679 |
| CLogP | 1.386 |
| CLogS | -3.02 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.95 |
| Relative PSA | 0.31803 |
| PolarSurfaceArea | 99.99 |
| Druglikeness | -4.5512 |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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