8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3871-0052 |
| Compound Name: | 8-(4-tert-butylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C24 H25 Cl N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4508 |
| logD: | 6.4508 |
| logSw: | -6.1436 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | NMUWTZHPQKZTGA-UHFFFAOYSA-N |