1,3,7-trimethyl-8-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-3152 |
| Compound Name: | 1,3,7-trimethyl-8-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C22 H25 N7 O3 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc3ccccc3n2CC(N2CCCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9319 |
| logD: | 2.911 |
| logSw: | -3.028 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.999 |
| InChI Key: | XUMRWILQHXFYPK-UHFFFAOYSA-N |