ethyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C692-0531 |
| Compound Name: | ethyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CCOC(Cn1c2C(NC(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1296 |
| logD: | 3.1265 |
| logSw: | -3.2466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.465 |
| InChI Key: | CJIQQWDNAAATEV-UHFFFAOYSA-N |