2-[(2H-1,3-benzodioxol-5-yl)methylidene]-9-benzylidene-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methylidene]-9-benzylidene-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
2-[(2H-1,3-benzodioxol-5-yl)methylidene]-9-benzylidene-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Compound characteristics
| Compound ID: | 8007-7543 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-9-benzylidene-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C31 H24 N2 O3 S |
| Smiles: | C1C/C(=C/c2ccccc2)C2=C(C1)C(c1ccccc1)N1C(=N2)SC(=C\c2ccc3c(c2)OCO3)\C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9918 |
| logD: | 6.4786 |
| logSw: | -6.1453 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.315 |
| InChI Key: | JHIJUDNXQAJVEG-LJAQVGFWSA-N |