8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0073 |
| Compound Name: | 8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 435.51 |
| Molecular Formula: | C21 H21 N7 O2 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCc3ccccc3C1)n2CCSc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5387 |
| logD: | 2.5385 |
| logSw: | -2.8932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.409 |
| InChI Key: | MKYMKRFEFDXBMN-UHFFFAOYSA-N |