6-[(furan-2-yl)methyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-[(furan-2-yl)methyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-[(furan-2-yl)methyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0259 |
| Compound Name: | 6-[(furan-2-yl)methyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C25 H20 N4 O4 S3 |
| Smiles: | C(CN1C2=C(C(N(Cc3ccco3)C(=N2)SCc2cccc(c2)[N+]([O-])=O)=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6757 |
| logD: | 5.6757 |
| logSw: | -5.8054 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 69.286 |
| InChI Key: | WOZVTQLRCNQQAD-UHFFFAOYSA-N |