(2E,9E)-9-benzylidene-2-[(2,4-dichlorophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C30H22N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,9E)-9-benzylidene-2-[(2,4-dichlorophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
| MolName | (2E,9E)-9-benzylidene-2-[(2,4-dichlorophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C30H22N2OCl2S |
| Smiles | O=C(/C(/S1)=C\c(ccc(Cl)c2)c2Cl)N2C1=NC(/C(/CCC1)=C/c3ccccc3)=C1C2c1ccccc1 |
| InChI | InChI=1S/C30H22Cl2N2OS/c31-23-15-14-21(25(32)18-23)17-26-29(35)34-28(20-10-5-2-6-11-20)24-13-7-12-22(27(24)33-30(34)36-26)16-19-8-3-1-4-9-19/h1-6,8-11,14-18,28H,7,12-13H2/t28-/m1/s1 |
| InChIK | AZDYLBVVYRZTMN-MUUNZHRXSA-N |
| TotalMolweight | 529.49 |
| Molweight | 529.49 |
| MonoisotopicMass | 528.082987 |
| CLogP | 7.773 |
| CLogS | -8.449 |
| H Acceptors | 3 |
| TotalSurfaceArea | 377.75 |
| Relative PSA | 0.12069 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 1.2351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E,9E)-9-benzylidene-2-[(2,4-dichlorophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (2E,9E)-9-benzylidene-2-[(2,4-dichlorophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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