2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
Formula:C24H19N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one |
| MolecularFormula | C24H19N2OCl |
| Smiles | O=C1N(CCc2ccccc2)C(/C=C/c(cc2)ccc2Cl)=Nc2c1cccc2 |
| InChI | InChI=1S/C24H19ClN2O/c25-20-13-10-19(11-14-20)12-15-23-26-22-9-5-4-8-21(22)24(28)27(23)17-16-18-6-2-1-3-7-18/h1-15H,16-17H2 |
| InChIK | HXZTVPISTHFDNL-UHFFFAOYSA-N |
| TotalMolweight | 386.881 |
| Molweight | 386.881 |
| MonoisotopicMass | 386.11859 |
| CLogP | 5.2691 |
| CLogS | -5.384 |
| H Acceptors | 3 |
| TotalSurfaceArea | 299.74 |
| Relative PSA | 0.093748 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.3271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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