2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C679-3306 |
| Compound Name: | 2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C19 H19 N5 O2 S3 |
| Smiles: | CCC1=NN2C(=NC(CSC3=Nc4c(C(N3C)=O)c3CCCCc3s4)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.4261 |
| logD: | 3.423 |
| logSw: | -3.8629 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.839 |
| InChI Key: | UTSZNVYLXGHBRW-UHFFFAOYSA-N |