8-(heptylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(heptylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(heptylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1486-0565 |
| Compound Name: | 8-(heptylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 310.42 |
| Molecular Formula: | C14 H22 N4 O2 S |
| Smiles: | CCCCCCCSc1nc2c(C(NC(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.8753 |
| logD: | 3.8752 |
| logSw: | -3.719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.282 |
| InChI Key: | NRVYDCPZQSYWDX-UHFFFAOYSA-N |