4,5-diphenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one
Formula:C24H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,5-diphenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4,5-diphenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one |
| MolecularFormula | C24H20N2O |
| Smiles | O=C(NC1c2ccccc2)NC(/C=C/c2ccccc2)=C1c1ccccc1 |
| InChI | InChI=1S/C24H20N2O/c27-24-25-21(17-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(26-24)20-14-8-3-9-15-20/h1-17,23H,(H2,25,26,27)/t23-/m1/s1 |
| InChIK | VOERGNCORYZWAF-HSZRJFAPSA-N |
| TotalMolweight | 352.436 |
| Molweight | 352.436 |
| MonoisotopicMass | 352.157563 |
| CLogP | 4.7385 |
| CLogS | -5.117 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 281.87 |
| Relative PSA | 0.12758 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.7127 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 4,5-diphenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one | 2 - 4,5-diphenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one
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