ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidate
Chemical Structure Depiction of
ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidate
ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidate
Compound characteristics
| Compound ID: | 8011-8758 |
| Compound Name: | ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidate |
| Molecular Weight: | 375.81 |
| Molecular Formula: | C17 H18 Cl N5 O3 |
| Smiles: | CCOC(c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl])=N |
| Stereo: | ACHIRAL |
| logP: | 2.9842 |
| logD: | 2.984 |
| logSw: | -3.4813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.68 |
| InChI Key: | LKAZKLOCRFHVGI-UHFFFAOYSA-N |