3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
Formula:C19H11N3OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C19H11N3OClFS |
| Smiles | O=C(c1c(N=C2)scc1-c1ccccc1)N2/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C19H11ClFN3OS/c20-15-7-4-8-16(21)13(15)9-23-24-11-22-18-17(19(24)25)14(10-26-18)12-5-2-1-3-6-12/h1-11H |
| InChIK | QDGHFXNYIMRRJB-UHFFFAOYSA-N |
| TotalMolweight | 383.833 |
| Molweight | 383.833 |
| MonoisotopicMass | 383.029537 |
| CLogP | 4.812 |
| CLogS | -6.985 |
| H Acceptors | 4 |
| TotalSurfaceArea | 274.56 |
| Relative PSA | 0.21842 |
| PolarSurfaceArea | 73.27 |
| Druglikeness | 4.4179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
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