5-(4-chlorophenyl)-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one
Formula:C20H12N3O2ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-chlorophenyl)-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 5-(4-chlorophenyl)-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C20H12N3O2ClF2S |
| Smiles | O=C(c1c(N=C2)scc1-c(cc1)ccc1Cl)N2/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C20H12ClF2N3O2S/c21-14-7-5-12(6-8-14)15-10-29-18-17(15)19(27)26(11-24-18)25-9-13-3-1-2-4-16(13)28-20(22)23/h1-11,20H |
| InChIK | KAVQFCLVDJOZRK-UHFFFAOYSA-N |
| TotalMolweight | 431.849 |
| Molweight | 431.849 |
| MonoisotopicMass | 431.03068 |
| CLogP | 4.8806 |
| CLogS | -7.293 |
| H Acceptors | 5 |
| TotalSurfaceArea | 303.41 |
| Relative PSA | 0.23061 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 2.8628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 5-(4-chlorophenyl)-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one | 2 - 5-(4-chlorophenyl)-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one
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