6-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
Formula:C17H11N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 6-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C17H11N3OS2 |
| Smiles | O=C(c1c(N=C2)sc(-c3ccccc3)c1)N2/N=C\c1cccs1 |
| InChI | InChI=1S/C17H11N3OS2/c21-17-14-9-15(12-5-2-1-3-6-12)23-16(14)18-11-20(17)19-10-13-7-4-8-22-13/h1-11H |
| InChIK | FHBHCDPKXXBZEA-UHFFFAOYSA-N |
| TotalMolweight | 337.426 |
| Molweight | 337.426 |
| MonoisotopicMass | 337.034352 |
| CLogP | 4.2109 |
| CLogS | -5.966 |
| H Acceptors | 4 |
| TotalSurfaceArea | 248.73 |
| Relative PSA | 0.32296 |
| PolarSurfaceArea | 101.51 |
| Druglikeness | 6.686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 6-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one | 2 - 6-phenyl-3-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
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