| MolName | 2-[(4-chlorophenyl)methoxy]-N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzamide |
| MolecularFormula | C23H18N2O4ClFS |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1Cl)N/N=C(/CC1)\c(cc(cc2)F)c2S1(=O)=O |
| InChI | InChI=1S/C23H18ClFN2O4S/c24-16-7-5-15(6-8-16)14-31-21-4-2-1-3-18(21)23(28)27-26-20-11-12-32(29,30)22-10-9-17(25)13-19(20)22/h1-10,13H,11-12,14H2,(H,27,28) |
| InChIK | BPTYTDOEGNYBOQ-UHFFFAOYSA-N |
| TotalMolweight | 472.923 |
| Molweight | 472.923 |
| MonoisotopicMass | 472.065983 |
| CLogP | 4.1281 |
| CLogS | -6.937 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.09 |
| Relative PSA | 0.22393 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 0.7213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2-[(4-chlorophenyl)methoxy]-N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzamide | 2 - 2-[(4-chlorophenyl)methoxy]-N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzamide