8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0039 |
| Compound Name: | 8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | Cc1ccc(CN2C(c3c(nc(NCCO)n3C)N(C)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5565 |
| logD: | 1.5552 |
| logSw: | -2.0104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.659 |
| InChI Key: | UQQCHRQMUDVPOY-UHFFFAOYSA-N |