8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5440 |
| Compound Name: | 8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C18 H23 N5 O4 |
| Smiles: | CN1C(c2c(nc(NCCc3ccc(c(c3)OC)OC)n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4738 |
| logD: | 1.4728 |
| logSw: | -2.1139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.03 |
| InChI Key: | NWACSLCEDWODTA-UHFFFAOYSA-N |