| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide |
| MolecularFormula | C20H20N4O2F2S |
| Smiles | O=C(CCSCCC(N/N=C\c(cccc1)c1F)=O)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C20H20F2N4O2S/c21-17-7-3-1-5-15(17)13-23-25-19(27)9-11-29-12-10-20(28)26-24-14-16-6-2-4-8-18(16)22/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28) |
| InChIK | JKCOZIOLZLVWSD-UHFFFAOYSA-N |
| TotalMolweight | 418.467 |
| Molweight | 418.467 |
| MonoisotopicMass | 418.127502 |
| CLogP | 4.295 |
| CLogS | -5.893 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 326.19 |
| Relative PSA | 0.27441 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 3.0193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 14 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-fluorophenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide | 2 - N-[(Z)-(2-fluorophenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide