2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-nitrophenyl)acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 3455-3291 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 358.31 |
| Molecular Formula: | C15 H14 N6 O5 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccc(cc2)[N+]([O-])=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9321 |
| logD: | 0.9296 |
| logSw: | -2.3943 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.491 |
| InChI Key: | COUSVNDSKHBOSH-UHFFFAOYSA-N |