7-butyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-butyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-5104 |
| Compound Name: | 7-butyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1SCC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1793 |
| logD: | 3.1792 |
| logSw: | -3.4716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.425 |
| InChI Key: | SHVPLRHXGBSPNO-UHFFFAOYSA-N |