(Z)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenylimidazol-1-yl]methanimine
Formula:C27H18N3OBrCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenylimidazol-1-yl]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenylimidazol-1-yl]methanimine |
| MolecularFormula | C27H18N3OBrCl2S |
| Smiles | Clc1cccc(Cl)c1CSc1nc(-c2ccccc2)cn1/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C27H18BrCl2N3OS/c28-20-11-9-19(10-12-20)26-14-13-21(34-26)15-31-33-16-25(18-5-2-1-3-6-18)32-27(33)35-17-22-23(29)7-4-8-24(22)30/h1-16H,17H2 |
| InChIK | TXBJUKCKGMEPTB-UHFFFAOYSA-N |
| TotalMolweight | 583.336 |
| Molweight | 583.336 |
| MonoisotopicMass | 580.973097 |
| CLogP | 8.4484 |
| CLogS | -11.917 |
| H Acceptors | 4 |
| TotalSurfaceArea | 395.43 |
| Relative PSA | 0.15414 |
| PolarSurfaceArea | 68.62 |
| Druglikeness | 4.565 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenylimidazol-1-yl]methanimine | 2 - (Z)-1-[5-(4-bromophenyl)furan-2-yl]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenylimidazol-1-yl]methanimine
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