methyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
methyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | C470-0431 |
| Compound Name: | methyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C19 H23 N5 O4 |
| Smiles: | CN(Cc1ccccc1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5244 |
| logD: | 1.5215 |
| logSw: | -1.6665 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.375 |
| InChI Key: | XYYJKXWTOHKBNZ-UHFFFAOYSA-N |