| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine |
| MolecularFormula | C19H11N4OCl3S |
| Smiles | Clc(cc1)cc(Cl)c1-c1noc(-c2csc(N/N=C\c(cccc3)c3Cl)n2)c1 |
| InChI | InChI=1S/C19H11Cl3N4OS/c20-12-5-6-13(15(22)7-12)16-8-18(27-26-16)17-10-28-19(24-17)25-23-9-11-3-1-2-4-14(11)21/h1-10H,(H,24,25) |
| InChIK | JNCSGCKTPVMWGT-UHFFFAOYSA-N |
| TotalMolweight | 449.748 |
| Molweight | 449.748 |
| MonoisotopicMass | 447.971912 |
| CLogP | 8.2859 |
| CLogS | -7.435 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.17 |
| Relative PSA | 0.24949 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | 5.0546 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine