6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | A0016969 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C31 H33 N3 O3 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(N1CCc2ccccc2C1)=O)SCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0866 |
| logD: | 6.0866 |
| logSw: | -5.5249 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.48 |
| InChI Key: | XCJVRHNYNRFQOH-UHFFFAOYSA-N |