| MolName | 4-phenyl-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C27H21N3OS |
| Smiles | C(c1ccccc1)Oc1c(/C=N\Nc2nc(-c3ccccc3)cs2)c2ccccc2cc1 |
| InChI | InChI=1S/C27H21N3OS/c1-3-9-20(10-4-1)18-31-26-16-15-21-11-7-8-14-23(21)24(26)17-28-30-27-29-25(19-32-27)22-12-5-2-6-13-22/h1-17,19H,18H2,(H,29,30) |
| InChIK | JSIXWYSIJCQBSD-UHFFFAOYSA-N |
| TotalMolweight | 435.55 |
| Molweight | 435.55 |
| MonoisotopicMass | 435.140532 |
| CLogP | 8.7589 |
| CLogS | -7.607 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 341.82 |
| Relative PSA | 0.18811 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 3.5105 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-phenyl-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-phenyl-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-2-amine