N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
Formula:C22H15N3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine |
| MolecularFormula | C22H15N3Cl2S |
| Smiles | Clc1cccc(Cl)c1/C=N\Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 |
| InChI | InChI=1S/C22H15Cl2N3S/c23-18-12-7-13-19(24)17(18)14-25-27-22-26-20(15-8-3-1-4-9-15)21(28-22)16-10-5-2-6-11-16/h1-14H,(H,26,27) |
| InChIK | QCDOOUDZGASSMJ-UHFFFAOYSA-N |
| TotalMolweight | 424.354 |
| Molweight | 424.354 |
| MonoisotopicMass | 423.036371 |
| CLogP | 9.3267 |
| CLogS | -8.239 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 314.3 |
| Relative PSA | 0.17276 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.9232 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
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