(5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one
Formula:C23H13N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C23H13N3OCl2S |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c(cccc2)c2Cl)N1c1nc(cc(cc2)Cl)c2s1 |
| InChI | InChI=1S/C23H13Cl2N3OS/c24-16-10-11-20-18(13-16)27-23(30-20)28-21(14-6-2-1-3-7-14)26-19(22(28)29)12-15-8-4-5-9-17(15)25/h1-13H |
| InChIK | RUQJAPOVAYTSJL-UHFFFAOYSA-N |
| TotalMolweight | 450.348 |
| Molweight | 450.348 |
| MonoisotopicMass | 449.015636 |
| CLogP | 6.2108 |
| CLogS | -7.705 |
| H Acceptors | 4 |
| TotalSurfaceArea | 315.15 |
| Relative PSA | 0.18858 |
| PolarSurfaceArea | 73.8 |
| Druglikeness | 3.4034 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one
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