methyl (8-anilino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Chemical Structure Depiction of
methyl (8-anilino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
methyl (8-anilino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Compound characteristics
| Compound ID: | 8017-3355 |
| Compound Name: | methyl (8-anilino-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C16 H17 N5 O4 |
| Smiles: | CN1C(c2c(nc(Nc3ccccc3)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.945 |
| logD: | 1.9444 |
| logSw: | -2.5355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.375 |
| InChI Key: | VPIXAOUQPDFZIC-UHFFFAOYSA-N |