8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-3882 |
| Compound Name: | 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C20 H25 N5 O6 |
| Smiles: | CN1C(c2c(nc(N(CCO)CCO)n2CC(c2ccc(cc2)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0536 |
| logD: | 1.0536 |
| logSw: | -1.8782 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.59 |
| InChI Key: | CMMIRKORBLPLMY-UHFFFAOYSA-N |