({6-[(furan-2-yl)methyl]-3-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({6-[(furan-2-yl)methyl]-3-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile
({6-[(furan-2-yl)methyl]-3-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | K286-0164 |
| Compound Name: | ({6-[(furan-2-yl)methyl]-3-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C19 H14 N4 O3 S3 |
| Smiles: | COc1ccccc1N1C2=C(C(N(Cc3ccco3)C(=N2)SCC#N)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.0846 |
| logD: | 3.0846 |
| logSw: | -3.381 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 60.408 |
| InChI Key: | ZJMQSRDUVDFWLD-UHFFFAOYSA-N |