N-(4-chlorophenyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
Formula:C19H14N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C19H14N3ClS |
| Smiles | Cc(cc1)ccc1-c1csc2c1c(Nc(cc1)ccc1Cl)ncn2 |
| InChI | InChI=1S/C19H14ClN3S/c1-12-2-4-13(5-3-12)16-10-24-19-17(16)18(21-11-22-19)23-15-8-6-14(20)7-9-15/h2-11H,1H3,(H,21,22,23) |
| InChIK | BVAKURDZUDUKOL-UHFFFAOYSA-N |
| TotalMolweight | 351.86 |
| Molweight | 351.86 |
| MonoisotopicMass | 351.059694 |
| CLogP | 5.6227 |
| CLogS | -7.847 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 259.98 |
| Relative PSA | 0.20679 |
| PolarSurfaceArea | 66.05 |
| Druglikeness | 0.2595 |
| 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 | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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