2-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C679-1874 |
| Compound Name: | 2-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C24 H21 N5 O3 S2 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(cc3)C3Nc4c(C(N=3)=O)c3CCCCc3s4)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9689 |
| logD: | 3.9689 |
| logSw: | -4.3127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.149 |
| InChI Key: | YGDYZSJPICSOIB-UHFFFAOYSA-N |