| MolName | (Z)-N-(2-phenylethyl)-4-(4-phenylphenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C29H24N4S |
| Smiles | C(C/N=C1\SC=C(c(cc2)ccc2-c2ccccc2)N1/N=C\c1ncccc1)c1ccccc1 |
| InChI | InChI=1S/C29H24N4S/c1-3-9-23(10-4-1)18-20-31-29-33(32-21-27-13-7-8-19-30-27)28(22-34-29)26-16-14-25(15-17-26)24-11-5-2-6-12-24/h1-17,19,21-22H,18,20H2 |
| InChIK | QVKOBBVPOLATDP-UHFFFAOYSA-N |
| TotalMolweight | 460.604 |
| Molweight | 460.604 |
| MonoisotopicMass | 460.172166 |
| CLogP | 6.6105 |
| CLogS | -7.222 |
| H Acceptors | 4 |
| TotalSurfaceArea | 365.55 |
| Relative PSA | 0.15054 |
| PolarSurfaceArea | 66.15 |
| Druglikeness | 4.7094 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-(2-phenylethyl)-4-(4-phenylphenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-(2-phenylethyl)-4-(4-phenylphenyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine