8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1864-0048 |
| Compound Name: | 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-heptyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C21 H25 Cl N4 O3 S |
| Smiles: | CCCCCCCn1c2C(NC(N(C)c2nc1SCC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5184 |
| logD: | 5.5182 |
| logSw: | -5.8639 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.425 |
| InChI Key: | AHEQBFRBBSOYOX-UHFFFAOYSA-N |