8-[(diethylamino)methyl]-1-hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--oxalic acid (1/1)
Chemical Structure Depiction of
8-[(diethylamino)methyl]-1-hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--oxalic acid (1/1)
8-[(diethylamino)methyl]-1-hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--oxalic acid (1/1)
Compound characteristics
| Compound ID: | D090-0138 |
| Compound Name: | 8-[(diethylamino)methyl]-1-hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione--oxalic acid (1/1) |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C18 H31 N5 O2 |
| Salt: | HOOCCOOH |
| Smiles: | CCCCCCN1C(c2c(nc(CN(CC)CC)n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0403 |
| logD: | 2.9528 |
| logSw: | -2.7728 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.408 |
| InChI Key: | CDQLMFMERLPJLC-UHFFFAOYSA-N |