(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C23H20N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is a drug-like molecule.
| MolName | (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C23H20N2OS |
| Smiles | O=C(CS1)N2C1=NC(/C(/CCC1)=C/c3ccccc3)=C1C2c1ccccc1 |
| InChI | InChI=1S/C23H20N2OS/c26-20-15-27-23-24-21-18(14-16-8-3-1-4-9-16)12-7-13-19(21)22(25(20)23)17-10-5-2-6-11-17/h1-6,8-11,14,22H,7,12-13,15H2/t22-/m0/s1 |
| InChIK | XGROEMAYQGXGMT-QFIPXVFZSA-N |
| TotalMolweight | 372.491 |
| Molweight | 372.491 |
| MonoisotopicMass | 372.129633 |
| CLogP | 4.4476 |
| CLogS | -5.147 |
| H Acceptors | 3 |
| TotalSurfaceArea | 276.2 |
| Relative PSA | 0.16506 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 0.43425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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