ethyl 2-{1-ethyl-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
Chemical Structure Depiction of
ethyl 2-{1-ethyl-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
ethyl 2-{1-ethyl-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
Compound characteristics
| Compound ID: | V024-1840 |
| Compound Name: | ethyl 2-{1-ethyl-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | CCN1C(c2c(ncn2C(C)C(=O)OCC)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3365 |
| logD: | 3.3365 |
| logSw: | -3.3819 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.708 |
| InChI Key: | UUZLNWJSRNUXBO-AWEZNQCLSA-N |