3-[2-(4-chlorophenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(4-chlorophenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0052 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 420.98 |
| Molecular Formula: | C20 H21 Cl N2 O2 S2 |
| Smiles: | CC(C)(C)C(CSC1=Nc2ccsc2C(N1CCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2087 |
| logD: | 5.2087 |
| logSw: | -5.5737 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.286 |
| InChI Key: | JFGSUDNQPMZWHD-UHFFFAOYSA-N |