3-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-phenylquinazolin-4-one
Formula:C30H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-phenylquinazolin-4-one is not a drug-like molecule.
| MolName | 3-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-phenylquinazolin-4-one |
| MolecularFormula | C30H19N5O4 |
| Smiles | [O-][N+](c1c(/C=C(/C2=O)\N=C(c3ccccc3)N2N(C(c2ccccc2)=Nc2c3cccc2)C3=O)cccc1)=O |
| InChI | InChI=1S/C30H19N5O4/c36-29-23-16-8-9-17-24(23)31-27(20-11-3-1-4-12-20)33(29)34-28(21-13-5-2-6-14-21)32-25(30(34)37)19-22-15-7-10-18-26(22)35(38)39/h1-19H |
| InChIK | ODIBIVIJJVLMIU-UHFFFAOYSA-N |
| TotalMolweight | 513.512 |
| Molweight | 513.512 |
| MonoisotopicMass | 513.143705 |
| CLogP | 2.7116 |
| CLogS | -6.506 |
| H Acceptors | 9 |
| TotalSurfaceArea | 375.96 |
| Relative PSA | 0.2304 |
| PolarSurfaceArea | 111.16 |
| Druglikeness | -1.8432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.35897 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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