2-[(6E)-1-benzoyl-6-phenacylidenepyrimidin-4-yl]-1-phenylethanone
Formula:C27H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(6E)-1-benzoyl-6-phenacylidenepyrimidin-4-yl]-1-phenylethanone is a drug-like molecule.
| MolName | 2-[(6E)-1-benzoyl-6-phenacylidenepyrimidin-4-yl]-1-phenylethanone |
| MolecularFormula | C27H20N2O3 |
| Smiles | O=C(CC(N=CN1C(c2ccccc2)=O)=C/C1=C\C(c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C27H20N2O3/c30-25(20-10-4-1-5-11-20)17-23-16-24(18-26(31)21-12-6-2-7-13-21)29(19-28-23)27(32)22-14-8-3-9-15-22/h1-16,18-19H,17H2 |
| InChIK | ZTFCKWXERKIORR-UHFFFAOYSA-N |
| TotalMolweight | 420.467 |
| Molweight | 420.467 |
| MonoisotopicMass | 420.147393 |
| CLogP | 4.3102 |
| CLogS | -6.314 |
| H Acceptors | 5 |
| TotalSurfaceArea | 330.77 |
| Relative PSA | 0.1638 |
| PolarSurfaceArea | 66.81 |
| Druglikeness | 3.6947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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