methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V029-1035 |
| Compound Name: | methyl 4-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(CC2CCCO2)C(N3c2ccccc2)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3629 |
| logD: | 2.3629 |
| logSw: | -2.411 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.103 |
| InChI Key: | JTWBBHFTHQKZIA-HXUWFJFHSA-N |