8-(4-butanoylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-butanoylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-butanoylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-0514 |
| Compound Name: | 8-(4-butanoylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 484.91 |
| Molecular Formula: | C24 H22 Cl F N4 O4 |
| Smiles: | CCCC(c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2688 |
| logD: | 5.2688 |
| logSw: | -5.8381 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63 |
| InChI Key: | VTMYKXPPUSEQSX-UHFFFAOYSA-N |