(5E)-5-benzylidene-2,4,6-triphenyl-2,6-dihydro-1H-pyrimidine
Formula:C29H24N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-2,4,6-triphenyl-2,6-dihydro-1H-pyrimidine is not a drug-like molecule.
| MolName | (5E)-5-benzylidene-2,4,6-triphenyl-2,6-dihydro-1H-pyrimidine |
| MolecularFormula | C29H24N2 |
| Smiles | C(c1ccccc1)=C1/C(c2ccccc2)=NC(c2ccccc2)NC1c1ccccc1 |
| InChI | InChI=1S/C29H24N2/c1-5-13-22(14-6-1)21-26-27(23-15-7-2-8-16-23)30-29(25-19-11-4-12-20-25)31-28(26)24-17-9-3-10-18-24/h1-21,27,29-30H |
| InChIK | MSXUKGUDZNUFNE-UHFFFAOYSA-N |
| TotalMolweight | 400.524 |
| Molweight | 400.524 |
| MonoisotopicMass | 400.193948 |
| CLogP | 5.9315 |
| CLogS | -5.956 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 323.18 |
| Relative PSA | 0.071075 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.0427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
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1 - (5E)-5-benzylidene-2,4,6-triphenyl-2,6-dihydro-1H-pyrimidine | 2 - (5E)-5-benzylidene-2,4,6-triphenyl-2,6-dihydro-1H-pyrimidine
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