2-{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-{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-{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: | C679-1886 |
| Compound Name: | 2-{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: | 505.62 |
| Molecular Formula: | C25 H23 N5 O3 S2 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(cc3)C3Nc4c(C(N=3)=O)c3CCC(C)Cc3s4)=CC2=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4029 |
| logD: | 4.4029 |
| logSw: | -4.4242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.149 |
| InChI Key: | DORDBONHPRXSHF-UHFFFAOYSA-N |