methyl (8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
methyl (8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | 3934-0057 |
| Compound Name: | methyl (8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 286.67 |
| Molecular Formula: | C10 H11 Cl N4 O4 |
| Smiles: | CN1C(c2c(nc(n2CC(=O)OC)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7665 |
| logD: | 0.7665 |
| logSw: | -1.7928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.774 |
| InChI Key: | WVKQBEIQHLIVDO-UHFFFAOYSA-N |