N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
Formula:C23H17N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine |
| MolecularFormula | C23H17N3OCl2S |
| Smiles | Clc1cccc(Cl)c1COc1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1 |
| InChI | InChI=1S/C23H17Cl2N3OS/c24-20-7-4-8-21(25)19(20)14-29-18-11-9-16(10-12-18)13-26-28-23-27-22(15-30-23)17-5-2-1-3-6-17/h1-13,15H,14H2,(H,27,28) |
| InChIK | TZLLFMPASKXNOI-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 | 0.66667 |
| 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 | 7 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine | 2 - N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
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