5-(4-chlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
Formula:C19H10N3OClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-chlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 5-(4-chlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C19H10N3OClF2S |
| Smiles | O=C(c1c(N=C2)scc1-c(cc1)ccc1Cl)N2/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C19H10ClF2N3OS/c20-12-6-4-11(5-7-12)14-9-27-18-17(14)19(26)25(10-23-18)24-8-13-15(21)2-1-3-16(13)22/h1-10H |
| InChIK | YMRCSKYJFITUMF-UHFFFAOYSA-N |
| TotalMolweight | 401.823 |
| Molweight | 401.823 |
| MonoisotopicMass | 401.020115 |
| CLogP | 4.9128 |
| CLogS | -7.299 |
| H Acceptors | 4 |
| TotalSurfaceArea | 280.91 |
| Relative PSA | 0.21348 |
| PolarSurfaceArea | 73.27 |
| Druglikeness | 4.4179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 5-(4-chlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one | 2 - 5-(4-chlorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
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