(5Z)-5-[(4-chlorophenyl)methylidene]-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
Formula:C23H12N3OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(4-chlorophenyl)methylidene]-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one |
| MolecularFormula | C23H12N3OCl3S |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c(cc2)ccc2Cl)N1c(sc1c2)nc1cc(Cl)c2Cl |
| InChI | InChI=1S/C23H12Cl3N3OS/c24-15-8-6-13(7-9-15)10-19-22(30)29(21(27-19)14-4-2-1-3-5-14)23-28-18-11-16(25)17(26)12-20(18)31-23/h1-12H |
| InChIK | MDKMUEHMISGYFU-UHFFFAOYSA-N |
| TotalMolweight | 484.793 |
| Molweight | 484.793 |
| MonoisotopicMass | 482.976663 |
| CLogP | 6.8168 |
| CLogS | -8.441 |
| H Acceptors | 4 |
| TotalSurfaceArea | 330.57 |
| Relative PSA | 0.17978 |
| PolarSurfaceArea | 73.8 |
| Druglikeness | 3.4034 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one | 2 - (5Z)-5-[(4-chlorophenyl)methylidene]-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
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