3-methyl-2-({[2-(methylsulfanyl)-5-oxo-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-({[2-(methylsulfanyl)-5-oxo-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-({[2-(methylsulfanyl)-5-oxo-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: | C679-2572 |
| Compound Name: | 3-methyl-2-({[2-(methylsulfanyl)-5-oxo-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: | 463.62 |
| Molecular Formula: | C18 H17 N5 O2 S4 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC1=CC(N2C(=N1)SC(=N2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6455 |
| logD: | 3.6451 |
| logSw: | -4.1763 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.354 |
| InChI Key: | MLHOULLRTRYYBZ-UHFFFAOYSA-N |