(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C28H20N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C28H20N3O3FS |
| Smiles | O=C(c1c(CCC/C2=C\c(cc3)ccc3F)c2nc2ccccc12)OCC(N=C1SC=CN11)=CC1=O |
| InChI | InChI=1S/C28H20FN3O3S/c29-19-10-8-17(9-11-19)14-18-4-3-6-22-25(21-5-1-2-7-23(21)31-26(18)22)27(34)35-16-20-15-24(33)32-12-13-36-28(32)30-20/h1-2,5,7-15H,3-4,6,16H2 |
| InChIK | LFLLSLRWHAHBTE-UHFFFAOYSA-N |
| TotalMolweight | 497.549 |
| Molweight | 497.549 |
| MonoisotopicMass | 497.12094 |
| CLogP | 4.586 |
| CLogS | -6.878 |
| H Acceptors | 6 |
| TotalSurfaceArea | 359.45 |
| Relative PSA | 0.22145 |
| PolarSurfaceArea | 97.16 |
| Druglikeness | -2.798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate | 2 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
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