ethyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0466 |
| Compound Name: | ethyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9795 |
| logD: | 1.9778 |
| logSw: | -2.2565 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.104 |
| InChI Key: | XJCMXYQRAZUBIT-UHFFFAOYSA-N |