(5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one
Formula:C23H12N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C23H12N4O3Cl2S |
| Smiles | [O-][N+](c1cccc(/C=C(/C2=O)\N=C(c3ccccc3)N2c(sc2c3)nc2cc(Cl)c3Cl)c1)=O |
| InChI | InChI=1S/C23H12Cl2N4O3S/c24-16-11-18-20(12-17(16)25)33-23(27-18)28-21(14-6-2-1-3-7-14)26-19(22(28)30)10-13-5-4-8-15(9-13)29(31)32/h1-12H |
| InChIK | MQXCYBXHHXXJPC-UHFFFAOYSA-N |
| TotalMolweight | 495.345 |
| Molweight | 495.345 |
| MonoisotopicMass | 494.000715 |
| CLogP | 5.2302 |
| CLogS | -8.165 |
| H Acceptors | 7 |
| TotalSurfaceArea | 338.82 |
| Relative PSA | 0.26519 |
| PolarSurfaceArea | 119.62 |
| Druglikeness | -1.6629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45455 |
| 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-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one
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