8-(4-butanoylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-butanoylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-butanoylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-6193 |
| Compound Name: | 8-(4-butanoylphenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 466.92 |
| Molecular Formula: | C24 H23 Cl N4 O4 |
| Smiles: | CCCC(c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2773 |
| logD: | 5.2773 |
| logSw: | -5.8224 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63 |
| InChI Key: | XDMZDVVVYSVBRB-UHFFFAOYSA-N |