(5S,9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C29H22N2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5S,9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
| MolName | (5S,9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C29H22N2F2S |
| Smiles | Fc1ccc([C@@H]2N(C(c3ccccc3)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C29H22F2N2S/c30-23-13-9-19(10-14-23)17-22-7-4-8-25-27(22)32-29-33(28(25)21-11-15-24(31)16-12-21)26(18-34-29)20-5-2-1-3-6-20/h1-3,5-6,9-18,28H,4,7-8H2/t28-/m1/s1 |
| InChIK | JIDODZZEYYQYFV-MUUNZHRXSA-N |
| TotalMolweight | 468.57 |
| Molweight | 468.57 |
| MonoisotopicMass | 468.147174 |
| CLogP | 7.2858 |
| CLogS | -7.277 |
| H Acceptors | 2 |
| TotalSurfaceArea | 341.86 |
| Relative PSA | 0.095214 |
| PolarSurfaceArea | 40.9 |
| Druglikeness | -1.9464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (5S,9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (5S,9E)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-3-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
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