7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8006-0136 |
| Compound Name: | 7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CCCCCCn1c2C(NC(N(C)c2nc1SCC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3227 |
| logD: | 4.3225 |
| logSw: | -4.2312 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.425 |
| InChI Key: | WROUQCDTXNJIRD-UHFFFAOYSA-N |