3-benzyl-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one
Formula:C19H13N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 3-benzyl-5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C19H13N2OBrS |
| Smiles | O=C1N(Cc2ccccc2)C=Nc2c1c(-c(cc1)ccc1Br)cs2 |
| InChI | InChI=1S/C19H13BrN2OS/c20-15-8-6-14(7-9-15)16-11-24-18-17(16)19(23)22(12-21-18)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2 |
| InChIK | DGFGYGBIXFVFJA-UHFFFAOYSA-N |
| TotalMolweight | 397.295 |
| Molweight | 397.295 |
| MonoisotopicMass | 395.993194 |
| CLogP | 4.5904 |
| CLogS | -6.135 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.42 |
| Relative PSA | 0.18608 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 3.2314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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