3-benzyl-2-[(E)-(1-benzyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one
Formula:C31H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(E)-(1-benzyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-(1-benzyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one |
| MolecularFormula | C31H23N3O2 |
| Smiles | O=C1N(Cc2ccccc2)c(cccc2)c2/C1=C\C(N1Cc2ccccc2)=Nc(cccc2)c2C1=O |
| InChI | InChI=1S/C31H23N3O2/c35-30-25-16-7-9-17-27(25)32-29(34(30)21-23-13-5-2-6-14-23)19-26-24-15-8-10-18-28(24)33(31(26)36)20-22-11-3-1-4-12-22/h1-19H,20-21H2 |
| InChIK | CEOSEFSRTWITAE-UHFFFAOYSA-N |
| TotalMolweight | 469.543 |
| Molweight | 469.543 |
| MonoisotopicMass | 469.179027 |
| CLogP | 4.4085 |
| CLogS | -5.452 |
| H Acceptors | 5 |
| TotalSurfaceArea | 356.84 |
| Relative PSA | 0.12524 |
| PolarSurfaceArea | 52.98 |
| Druglikeness | 4.2093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 3-benzyl-2-[(E)-(1-benzyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one | 2 - 3-benzyl-2-[(E)-(1-benzyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one
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