2-naphthalen-1-ylsulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C20H15N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-naphthalen-1-ylsulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-naphthalen-1-ylsulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C20H15N2OF3S |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C20H15F3N2OS/c21-20(22,23)16-10-8-14(9-11-16)12-24-25-19(26)13-27-18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,25,26) |
| InChIK | NOGYAUWZPFJLEO-UHFFFAOYSA-N |
| TotalMolweight | 388.412 |
| Molweight | 388.412 |
| MonoisotopicMass | 388.085717 |
| CLogP | 5.4571 |
| CLogS | -6.647 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 282.3 |
| Relative PSA | 0.18951 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | -2.3972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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