ethyl {8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0461 |
| Compound Name: | ethyl {8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C24 H31 N5 O4 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CCC(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.387 |
| logD: | 3.3755 |
| logSw: | -3.5341 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.572 |
| InChI Key: | MQYDAIUWXIRFHD-UHFFFAOYSA-N |