methyl {8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0432 |
| Compound Name: | methyl {8-[(dibenzylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CN1C(c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0103 |
| logD: | 3.01 |
| logSw: | -3.0899 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.971 |
| InChI Key: | KFNXJQPCSGTFBI-UHFFFAOYSA-N |