N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H13N2O2BrClF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H13N2O2BrClF3S |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H13BrClF3N2O2S/c21-17-10-15(29-19(17)30-16-6-4-14(22)5-7-16)11-26-27-18(28)9-12-2-1-3-13(8-12)20(23,24)25/h1-8,10-11H,9H2,(H,27,28) |
| InChIK | RHIIKWOZDOANAE-UHFFFAOYSA-N |
| TotalMolweight | 517.752 |
| Molweight | 517.752 |
| MonoisotopicMass | 515.95217 |
| CLogP | 6.4864 |
| CLogS | -7.265 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 331.2 |
| Relative PSA | 0.20414 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -7.7465 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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