3-methyl-2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-methyl-2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-methyl-2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G647-1921 |
| Compound Name: | 3-methyl-2-{[(7-oxo-2-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C23 H20 N6 O2 S2 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC1=CC(N2C(NC(c3ccccc3)=N2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4151 |
| logD: | 3.4151 |
| logSw: | -4.0542 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.589 |
| InChI Key: | WVKJJKUOKPGEPU-UHFFFAOYSA-N |