3-methyl-2-({[5-oxo-2-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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: | C679-2702 |
| Compound Name: | 3-methyl-2-({[5-oxo-2-(thiophen-2-yl)-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: | 499.65 |
| Molecular Formula: | C21 H17 N5 O2 S4 |
| Smiles: | CN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0479 |
| logD: | 4.0479 |
| logSw: | -4.2868 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.682 |
| InChI Key: | ZZCDFDRKXKASPY-UHFFFAOYSA-N |