5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0264 |
| Compound Name: | 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 582.18 |
| Molecular Formula: | C27 H20 Cl N3 O2 S4 |
| Smiles: | C(CN1C2=C(C(N(Cc3ccco3)C(=N2)SCc2csc3ccc(cc23)[Cl])=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5341 |
| logD: | 7.5341 |
| logSw: | -6.4619 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.652 |
| InChI Key: | PQZBMVLKECDCIL-UHFFFAOYSA-N |