(2Z,5R,9E)-2,9-dibenzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C30H24N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5R,9E)-2,9-dibenzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
| MolName | (2Z,5R,9E)-2,9-dibenzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C30H24N2OS |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N2C1=NC(/C(/CCC1)=C/c3ccccc3)=C1[C@H]2c1ccccc1 |
| InChI | InChI=1S/C30H24N2OS/c33-29-26(20-22-13-6-2-7-14-22)34-30-31-27-24(19-21-11-4-1-5-12-21)17-10-18-25(27)28(32(29)30)23-15-8-3-9-16-23/h1-9,11-16,19-20,28H,10,17-18H2/t28-/m0/s1 |
| InChIK | PYQNIOYPGFEFOQ-NDEPHWFRSA-N |
| TotalMolweight | 460.6 |
| Molweight | 460.6 |
| MonoisotopicMass | 460.160933 |
| CLogP | 6.561 |
| CLogS | -6.977 |
| H Acceptors | 3 |
| TotalSurfaceArea | 346.91 |
| Relative PSA | 0.13142 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 1.1856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2Z,5R,9E)-2,9-dibenzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (2Z,5R,9E)-2,9-dibenzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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