8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-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)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0069 |
| Compound Name: | 8-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-dimethyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C22 H23 N7 O2 S |
| Smiles: | CN1C(c2c(nc(N3CCc4ccccc4C3)n2CCSc2ncccn2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9542 |
| logD: | 2.9506 |
| logSw: | -3.1143 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.495 |
| InChI Key: | OFGFVOQJPVOMPE-UHFFFAOYSA-N |