5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4209 |
| Compound Name: | 5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 557.67 |
| Molecular Formula: | C28 H19 N3 O4 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC2=CC(=O)Oc3cc(ccc23)O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.0472 |
| logD: | 5.018 |
| logSw: | -4.4939 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.678 |
| InChI Key: | ZBHJTKJUFJQHDO-UHFFFAOYSA-N |