ethyl 2-{2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
Chemical Structure Depiction of
ethyl 2-{2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
ethyl 2-{2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
Compound characteristics
| Compound ID: | V021-5510 |
| Compound Name: | ethyl 2-{2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | CCOC(C(C)n1cnc2c1C(N(CC=C)C(N2c1ccc(cc1)C(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4915 |
| logD: | 3.4915 |
| logSw: | -3.4365 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.961 |
| InChI Key: | OSGKICJTJSWHIP-HNNXBMFYSA-N |