8-{[2-(3,4-diethoxyphenyl)ethyl]amino}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(3,4-diethoxyphenyl)ethyl]amino}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(3,4-diethoxyphenyl)ethyl]amino}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-1045 |
| Compound Name: | 8-{[2-(3,4-diethoxyphenyl)ethyl]amino}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H29 N5 O4 |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1NCCc1ccc(c(c1)OCC)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5796 |
| logD: | 2.5764 |
| logSw: | -2.9502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.105 |
| InChI Key: | ZJPCTDRIGNPIEK-UHFFFAOYSA-N |