2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C679-1892 |
| Compound Name: | 2-{3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C27 H27 N5 O4 S2 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(cc3OCC)C3Nc4c(C(N=3)=O)c3CCC(C)Cc3s4)=CC2=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2218 |
| logD: | 4.2218 |
| logSw: | -4.492 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.446 |
| InChI Key: | OOFDDJZJRBQCMI-CQSZACIVSA-N |