1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5947-0082 |
| Compound Name: | 1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 310.42 |
| Molecular Formula: | C14 H22 N4 O2 S |
| Smiles: | CC(C)CCN1C(c2c([nH]c(n2)S)N(CC(C)C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1107 |
| logD: | 3.1071 |
| logSw: | -3.145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.121 |
| InChI Key: | YVKCJFVFOPTMMG-UHFFFAOYSA-N |