(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C25H20N2O3F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
| MolName | (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C25H20N2O3F4S |
| Smiles | O=C(CS1)N2C1=NC(/C(/CCC1)=C/c(cc3)ccc3OC(F)F)=C1C2c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C25H20F4N2O3S/c26-23(27)33-17-8-4-14(5-9-17)12-16-2-1-3-19-21(16)30-25-31(20(32)13-35-25)22(19)15-6-10-18(11-7-15)34-24(28)29/h4-12,22-24H,1-3,13H2/t22-/m0/s1 |
| InChIK | LMSQQMKWNNSDJT-QFIPXVFZSA-N |
| TotalMolweight | 504.503 |
| Molweight | 504.503 |
| MonoisotopicMass | 504.113075 |
| CLogP | 4.7864 |
| CLogS | -6.391 |
| H Acceptors | 5 |
| TotalSurfaceArea | 346.6 |
| Relative PSA | 0.18924 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | -2.3654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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