methyl 4-({3-(2,6-dimethylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({3-(2,6-dimethylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 4-({3-(2,6-dimethylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V015-9855 |
| Compound Name: | methyl 4-({3-(2,6-dimethylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C27 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | Cc1cccc(C)c1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2708 |
| logD: | 3.2708 |
| logSw: | -3.1076 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.501 |
| InChI Key: | CKFZXRBXWXDTBZ-OAQYLSRUSA-N |