3-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
3-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V020-0037 |
| Compound Name: | 3-({2,6-dioxo-1-[(oxolan-2-yl)methyl]-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C24 H21 N5 O3 |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3cccc(C#N)c3)N(C2=O)c2ccccc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8466 |
| logD: | 1.8466 |
| logSw: | -2.1298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.985 |
| InChI Key: | CWJKRXIXZGHECH-HXUWFJFHSA-N |