8-(butylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(butylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(butylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4551 |
| Compound Name: | 8-(butylsulfanyl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C19 H23 Cl N4 O4 S |
| Smiles: | CCCCSc1nc2c(C(NC(N2C)=O)=O)n1CC(COc1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3469 |
| logD: | 4.3468 |
| logSw: | -4.2667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.319 |
| InChI Key: | KGGZOICPRXFAGF-ZDUSSCGKSA-N |