N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide
Formula:C23H16N2O3BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide |
| MolecularFormula | C23H16N2O3BrClS |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16BrClN2O3S/c24-20-12-17(30-23(20)31-18-10-8-16(25)9-11-18)13-26-27-22(28)14-29-21-7-3-5-15-4-1-2-6-19(15)21/h1-13H,14H2,(H,27,28) |
| InChIK | XVQMPLVTTTYLDB-UHFFFAOYSA-N |
| TotalMolweight | 515.814 |
| Molweight | 515.814 |
| MonoisotopicMass | 513.975351 |
| CLogP | 6.4093 |
| CLogS | -7.908 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.34 |
| Relative PSA | 0.22409 |
| PolarSurfaceArea | 89.13 |
| Druglikeness | -0.61238 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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