(5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
Formula:C23H12N4O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one is a drug-like molecule.
| MolName | (5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C23H12N4O3ClFS |
| Smiles | [O-][N+](c1c(/C=C(/C2=O)\N=C(c3ccccc3)N2c(sc2c3)nc2cc(Cl)c3F)cccc1)=O |
| InChI | InChI=1S/C23H12ClFN4O3S/c24-15-11-17-20(12-16(15)25)33-23(27-17)28-21(13-6-2-1-3-7-13)26-18(22(28)30)10-14-8-4-5-9-19(14)29(31)32/h1-12H |
| InChIK | KXKBULOZJPRSQJ-UHFFFAOYSA-N |
| TotalMolweight | 478.89 |
| Molweight | 478.89 |
| MonoisotopicMass | 478.030266 |
| CLogP | 4.725 |
| CLogS | -7.743 |
| H Acceptors | 7 |
| TotalSurfaceArea | 329.75 |
| Relative PSA | 0.27248 |
| PolarSurfaceArea | 119.62 |
| Druglikeness | -3.0029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5Z)-3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
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