(Z)-3-[(Z)-benzylideneamino]-4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-imine
Formula:C22H16N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-benzylideneamino]-4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-3-[(Z)-benzylideneamino]-4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-imine |
| MolecularFormula | C22H16N3ClS |
| Smiles | Clc(cc1)ccc1C(N1/N=C\c2ccccc2)=CS/C1=N\c1ccccc1 |
| InChI | InChI=1S/C22H16ClN3S/c23-19-13-11-18(12-14-19)21-16-27-22(25-20-9-5-2-6-10-20)26(21)24-15-17-7-3-1-4-8-17/h1-16H |
| InChIK | ZXBPLEAAWUZTKJ-UHFFFAOYSA-N |
| TotalMolweight | 389.909 |
| Molweight | 389.909 |
| MonoisotopicMass | 389.075344 |
| CLogP | 5.9701 |
| CLogS | -6.37 |
| H Acceptors | 3 |
| TotalSurfaceArea | 294.93 |
| Relative PSA | 0.14939 |
| PolarSurfaceArea | 53.26 |
| Druglikeness | 4.0126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (Z)-3-[(Z)-benzylideneamino]-4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-benzylideneamino]-4-(4-chlorophenyl)-N-phenyl-1,3-thiazol-2-imine
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