(2Z)-2-benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C23H22N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C23H22N2O2S |
| Smiles | OC12C(c3ccccc3)N(C(/C(/S3)=C/c4ccccc4)=O)C3=NC1CCCC2 |
| InChI | InChI=1S/C23H22N2O2S/c26-21-18(15-16-9-3-1-4-10-16)28-22-24-19-13-7-8-14-23(19,27)20(25(21)22)17-11-5-2-6-12-17/h1-6,9-12,15,19-20,27H,7-8,13-14H2 |
| InChIK | LARPIEDAGFXNSD-UHFFFAOYSA-N |
| TotalMolweight | 390.506 |
| Molweight | 390.506 |
| MonoisotopicMass | 390.140198 |
| CLogP | 3.7426 |
| CLogS | -5.067 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.54 |
| Relative PSA | 0.20772 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | -0.32332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2Z)-2-benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (2Z)-2-benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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