N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
Formula:C19H17N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide |
| MolecularFormula | C19H17N2O3F3S |
| Smiles | O=C(CS(Cc1cc(C(F)(F)F)ccc1)(=O)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H17F3N2O3S/c20-19(21,22)17-10-4-8-16(12-17)13-28(26,27)14-18(25)24-23-11-5-9-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,24,25) |
| InChIK | BAIVCXRJGNQEKC-UHFFFAOYSA-N |
| TotalMolweight | 410.415 |
| Molweight | 410.415 |
| MonoisotopicMass | 410.091197 |
| CLogP | 2.7851 |
| CLogS | -5.02 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.05 |
| Relative PSA | 0.21598 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -6.5796 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
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