(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C31H24N2O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
| MolName | (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C31H24N2O2F4S |
| Smiles | FC(Oc1ccc(C2N(C(c3ccccc3)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2OC(F)F)cc1)F |
| InChI | InChI=1S/C31H24F4N2O2S/c32-29(33)38-23-13-9-19(10-14-23)17-22-7-4-8-25-27(22)36-31-37(26(18-40-31)20-5-2-1-3-6-20)28(25)21-11-15-24(16-12-21)39-30(34)35/h1-3,5-6,9-18,28-30H,4,7-8H2/t28-/m0/s1 |
| InChIK | SMMDLKRXPIRZEF-NDEPHWFRSA-N |
| TotalMolweight | 564.602 |
| Molweight | 564.602 |
| MonoisotopicMass | 564.14946 |
| CLogP | 7.423 |
| CLogS | -7.893 |
| H Acceptors | 4 |
| TotalSurfaceArea | 399.56 |
| Relative PSA | 0.13152 |
| PolarSurfaceArea | 59.36 |
| Druglikeness | -3.4355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.475 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
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