3-(4-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(4-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0119 |
| Compound Name: | 3-(4-ethoxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 496.62 |
| Molecular Formula: | C26 H25 F N2 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.5885 |
| logD: | 5.5885 |
| logSw: | -5.515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.803 |
| InChI Key: | YWRRRMYWOCZNJL-UHFFFAOYSA-N |