8-{2-[4-(diethylamino)phenyl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-[4-(diethylamino)phenyl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{2-[4-(diethylamino)phenyl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3232 |
| Compound Name: | 8-{2-[4-(diethylamino)phenyl]ethenyl}-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CCN(CC)c1ccc(/C=C/c2nc3c(C(N(CC)C(N3CC)=O)=O)n2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9563 |
| logD: | 3.9546 |
| logSw: | -3.9622 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.145 |
| InChI Key: | WUHCZTZVLLSUBY-UHFFFAOYSA-N |