8-(hexylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(hexylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(hexylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1745 |
| Compound Name: | 8-(hexylsulfanyl)-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C20 H26 N4 O2 S |
| Smiles: | CCCCCCSc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5814 |
| logD: | 5.5814 |
| logSw: | -5.14 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.2 |
| InChI Key: | UHWOOPZOIQJNMR-UHFFFAOYSA-N |