3-methyl-2-{[(5-oxo-2-phenyl-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-phenyl-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-phenyl-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: | C679-3392 |
| Compound Name: | 3-methyl-2-{[(5-oxo-2-phenyl-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: | 493.63 |
| Molecular Formula: | C23 H19 N5 O2 S3 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.106 |
| logD: | 4.1058 |
| logSw: | -4.3998 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.664 |
| InChI Key: | CWUMLHOFCCDRPF-UHFFFAOYSA-N |