8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-5801 |
| Compound Name: | 8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C21 H25 N9 O2 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCCC1)n2CCSc1nnnn1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2057 |
| logD: | 3.2057 |
| logSw: | -3.442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.843 |
| InChI Key: | AIXGXZFOJMKYOS-UHFFFAOYSA-N |