2-({3-(2-methylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({3-(2-methylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
2-({3-(2-methylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V024-1090 |
| Compound Name: | 2-({3-(2-methylphenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1ccccc1C#N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6516 |
| logD: | 2.6516 |
| logSw: | -3.0545 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.684 |
| InChI Key: | JYDXASVOETXHAF-HXUWFJFHSA-N |