7-(3,3-dimethyl-2-oxobutyl)-1-ethyl-3-(3-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutyl)-1-ethyl-3-(3-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-(3,3-dimethyl-2-oxobutyl)-1-ethyl-3-(3-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V011-6728 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutyl)-1-ethyl-3-(3-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C20 H24 N4 O3 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2CC(C(C)(C)C)=O)N(C1=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6491 |
| logD: | 2.6491 |
| logSw: | -2.6354 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.789 |
| InChI Key: | RQRKXRLQTKBJRL-UHFFFAOYSA-N |