7-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethylphenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethylphenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethylphenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-2972 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethylphenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C28 H34 N4 O2 |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2ccc(cc2)C(C)(C)C)N(C1=O)c1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.528 |
| logD: | 6.528 |
| logSw: | -5.5041 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.245 |
| InChI Key: | QLCVMDUIOFFOBS-UHFFFAOYSA-N |