| MolName | (4R)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide |
| MolecularFormula | C19H18N3O3Cl |
| Smiles | CC(NC(N[C@@H]1c(cc2)ccc2Cl)=O)=C1C(Nc(cc1)ccc1OC)=O |
| InChI | InChI=1S/C19H18ClN3O3/c1-11-16(18(24)22-14-7-9-15(26-2)10-8-14)17(23-19(25)21-11)12-3-5-13(20)6-4-12/h3-10,17H,1-2H3,(H,22,24)(H2,21,23,25)/t17-/m1/s1 |
| InChIK | HCHUEVKILHBNMY-QGZVFWFLSA-N |
| TotalMolweight | 371.823 |
| Molweight | 371.823 |
| MonoisotopicMass | 371.103669 |
| CLogP | 3.0726 |
| CLogS | -4.472 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 274.76 |
| Relative PSA | 0.25644 |
| PolarSurfaceArea | 79.46 |
| Druglikeness | 3.9933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon | this enantiomer |
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1 - (4R)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide | 2 - (4R)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide