3-[(furan-2-yl)methyl]-5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-[(furan-2-yl)methyl]-5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4328 |
| Compound Name: | 3-[(furan-2-yl)methyl]-5-{[(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C26 H17 N3 O5 S3 |
| Smiles: | C(c1ccco1)N1C2=C(C(N(C(=N2)SCC2=CC(=O)Oc3cc(ccc23)O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3482 |
| logD: | 4.319 |
| logSw: | -4.3828 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.339 |
| InChI Key: | KZZQOQBZWBRCQT-UHFFFAOYSA-N |