methyl (1,3,7-trimethyl-2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)acetate
Chemical Structure Depiction of
methyl (1,3,7-trimethyl-2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)acetate
methyl (1,3,7-trimethyl-2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)acetate
Compound characteristics
| Compound ID: | 4429-0037 |
| Compound Name: | methyl (1,3,7-trimethyl-2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)acetate |
| Molecular Weight: | 282.25 |
| Molecular Formula: | C11 H14 N4 O5 |
| Smiles: | CN1C2=C(N(C)C(N(C)C2=O)=O)N(CC(=O)OC)C1=O |
| Stereo: | ACHIRAL |
| logP: | -0.1978 |
| logD: | -0.1978 |
| logSw: | 0.385 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.918 |
| InChI Key: | HNWVOMIJGYTHJL-UHFFFAOYSA-N |