3-[4-(difluoromethoxy)phenyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-[4-(difluoromethoxy)phenyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3-[4-(difluoromethoxy)phenyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K843-0067 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C22 H22 F2 N2 O3 S2 |
| Smiles: | CC(C)(C)C(CSC1=Nc2c(C(N1c1ccc(cc1)OC(F)F)=O)c1CCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8256 |
| logD: | 4.8256 |
| logSw: | -4.7464 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.472 |
| InChI Key: | SBXIZDMOQAJDCT-UHFFFAOYSA-N |