(9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C23H18N2OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is a drug-like molecule.
| MolName | (9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C23H18N2OF2S |
| Smiles | O=C(CS1)N2C1=NC(/C(/CCC1)=C/c(cc3)ccc3F)=C1C2c(cc1)ccc1F |
| InChI | InChI=1S/C23H18F2N2OS/c24-17-8-4-14(5-9-17)12-16-2-1-3-19-21(16)26-23-27(20(28)13-29-23)22(19)15-6-10-18(25)11-7-15/h4-12,22H,1-3,13H2/t22-/m0/s1 |
| InChIK | XOOSTEJKJADOIS-QFIPXVFZSA-N |
| TotalMolweight | 408.471 |
| Molweight | 408.471 |
| MonoisotopicMass | 408.110789 |
| CLogP | 4.6492 |
| CLogS | -5.775 |
| H Acceptors | 3 |
| TotalSurfaceArea | 288.9 |
| Relative PSA | 0.15781 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | -0.90575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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