3-methyl-2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-methyl-2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-methyl-2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C679-3327 |
| Compound Name: | 3-methyl-2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C20 H21 N5 O2 S3 |
| Smiles: | CCCC1=NN2C(=NC(CSC3=Nc4c(C(N3C)=O)c3CCCCc3s4)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.963 |
| logD: | 3.961 |
| logSw: | -4.149 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.839 |
| InChI Key: | RSOAECSGVMZQRA-UHFFFAOYSA-N |