N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C17H14N5O4F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C17H14N5O4F3S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C17H14F3N5O4S/c18-17(19,20)15-7-8-25(24-15)10-16(26)23-22-9-12-3-6-14(29-12)11-1-4-13(5-2-11)30(21,27)28/h1-9H,10H2,(H,23,26)(H2,21,27,28) |
| InChIK | KRKQVIYCAMTUDT-UHFFFAOYSA-N |
| TotalMolweight | 441.389 |
| Molweight | 441.389 |
| MonoisotopicMass | 441.071859 |
| CLogP | 1.3637 |
| CLogS | -4.116 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 304.72 |
| Relative PSA | 0.36693 |
| PolarSurfaceArea | 140.96 |
| Druglikeness | -2.3675 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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