8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D090-0137 |
| Compound Name: | 8-{[3-(diethylamino)-2-hydroxypropoxy]methyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 389.88 |
| Molecular Formula: | C16 H27 N5 O4 |
| Salt: | HCl |
| Smiles: | CCN(CC)CC(COCc1nc2c(C(N(C)C(N2C)=O)=O)n1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3606 |
| logD: | -1.1608 |
| logSw: | -0.5102 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.249 |
| InChI Key: | AAYKKHPOQWVXNI-NSHDSACASA-N |