| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine |
| MolecularFormula | C19H10N4OCl4S |
| Smiles | Clc(cc1)cc(Cl)c1-c1noc(-c2csc(N/N=C\c(c(Cl)ccc3)c3Cl)n2)c1 |
| InChI | InChI=1S/C19H10Cl4N4OS/c20-10-4-5-11(15(23)6-10)16-7-18(28-27-16)17-9-29-19(25-17)26-24-8-12-13(21)2-1-3-14(12)22/h1-9H,(H,25,26) |
| InChIK | QHDVXZFUFSPHQY-UHFFFAOYSA-N |
| TotalMolweight | 484.193 |
| Molweight | 484.193 |
| MonoisotopicMass | 481.932939 |
| CLogP | 8.8919 |
| CLogS | -8.171 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 333.59 |
| Relative PSA | 0.23796 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | 5.0546 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine