(5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
Formula:C23H13N3O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C23H13N3O2ClFS |
| Smiles | Oc1ccc(/C=C(/C2=O)\N=C(c3ccccc3)N2c(sc2c3)nc2cc(Cl)c3F)cc1 |
| InChI | InChI=1S/C23H13ClFN3O2S/c24-16-11-18-20(12-17(16)25)31-23(27-18)28-21(14-4-2-1-3-5-14)26-19(22(28)30)10-13-6-8-15(29)9-7-13/h1-12,29H |
| InChIK | RUHHZVDWQFEDTC-UHFFFAOYSA-N |
| TotalMolweight | 449.892 |
| Molweight | 449.892 |
| MonoisotopicMass | 449.040102 |
| CLogP | 5.3599 |
| CLogS | -6.987 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.43 |
| Relative PSA | 0.23215 |
| PolarSurfaceArea | 94.03 |
| Druglikeness | 2.0735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
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