8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3871-0070 |
| Compound Name: | 8-(ethylsulfanyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.1359 |
| logD: | 4.1358 |
| logSw: | -4.0475 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | XFYHSOJKZOABEA-UHFFFAOYSA-N |