2-[({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
2-[({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)methyl]benzonitrile
2-[({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | K286-4257 |
| Compound Name: | 2-[({6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C24 H15 F N4 O2 S3 |
| Smiles: | C(c1ccco1)N1C2=C(C(N(C(=N2)SCc2ccccc2C#N)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.0703 |
| logD: | 5.0703 |
| logSw: | -4.869 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.371 |
| InChI Key: | VJSRFMICQRMZAG-UHFFFAOYSA-N |