7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6024 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(C)c1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8355 |
| logD: | 3.8355 |
| logSw: | -4.0489 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.327 |
| InChI Key: | LQEOFISAEAMJFZ-HXUWFJFHSA-N |