methyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C692-0509 |
| Compound Name: | methyl {8-[(dibenzylamino)methyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | CN1C(NC(c2c1nc(CN(Cc1ccccc1)Cc1ccccc1)n2CC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5948 |
| logD: | 2.5917 |
| logSw: | -3.0161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.885 |
| InChI Key: | CCACWSIHQQFNLX-UHFFFAOYSA-N |