| MolName | 4-(2,4-dichlorophenyl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C23H17N3OCl2S |
| Smiles | Clc(cc1)cc(Cl)c1-c1csc(N/N=C/c(cc2)ccc2OCc2ccccc2)n1 |
| InChI | InChI=1S/C23H17Cl2N3OS/c24-18-8-11-20(21(25)12-18)22-15-30-23(27-22)28-26-13-16-6-9-19(10-7-16)29-14-17-4-2-1-3-5-17/h1-13,15H,14H2,(H,27,28) |
| InChIK | IWWCVOYYUKANRZ-UHFFFAOYSA-N |
| TotalMolweight | 454.38 |
| Molweight | 454.38 |
| MonoisotopicMass | 453.046936 |
| CLogP | 8.7765 |
| CLogS | -7.473 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.06 |
| Relative PSA | 0.1902 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.5513 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(2,4-dichlorophenyl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(2,4-dichlorophenyl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine