(Z)-N-benzyl-4-(4-bromophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-imine
Formula:C25H20N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-4-(4-bromophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-benzyl-4-(4-bromophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-imine |
| MolecularFormula | C25H20N3BrS |
| Smiles | Brc(cc1)ccc1C(N1/N=C\C=C\c2ccccc2)=CS/C1=N\Cc1ccccc1 |
| InChI | InChI=1S/C25H20BrN3S/c26-23-15-13-22(14-16-23)24-19-30-25(27-18-21-10-5-2-6-11-21)29(24)28-17-7-12-20-8-3-1-4-9-20/h1-17,19H,18H2 |
| InChIK | UYWBNXKIKTURHB-UHFFFAOYSA-N |
| TotalMolweight | 474.425 |
| Molweight | 474.425 |
| MonoisotopicMass | 473.056128 |
| CLogP | 6.2116 |
| CLogS | -6.921 |
| H Acceptors | 3 |
| TotalSurfaceArea | 338.4 |
| Relative PSA | 0.1302 |
| PolarSurfaceArea | 53.26 |
| Druglikeness | 2.7561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-4-(4-bromophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-4-(4-bromophenyl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-imine
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