3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V018-8557 |
| Compound Name: | 3-(2,6-dimethylphenyl)-1-[(oxolan-2-yl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | Cc1cccc(C)c1N1C(N(CC2CCCO2)C(c2c1ncn2CC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2027 |
| logD: | 2.2027 |
| logSw: | -2.192 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.577 |
| InChI Key: | KKXQZNFVVXSPAG-MRXNPFEDSA-N |