(5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
Formula:C19H12N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one |
| MolecularFormula | C19H12N4O3S |
| Smiles | [O-][N+](c1cccc(/C=C(/C2=O)\N=C(c3ccccc3)N2c2nccs2)c1)=O |
| InChI | InChI=1S/C19H12N4O3S/c24-18-16(12-13-5-4-8-15(11-13)23(25)26)21-17(14-6-2-1-3-7-14)22(18)19-20-9-10-27-19/h1-12H |
| InChIK | ZFFQKPLPSBHAGO-UHFFFAOYSA-N |
| TotalMolweight | 376.395 |
| Molweight | 376.395 |
| MonoisotopicMass | 376.063011 |
| CLogP | 2.8411 |
| CLogS | -5.459 |
| H Acceptors | 7 |
| TotalSurfaceArea | 273.38 |
| Relative PSA | 0.32866 |
| PolarSurfaceArea | 119.62 |
| Druglikeness | -1.3567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one | 2 - (5Z)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
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