7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-8460 |
| Compound Name: | 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 512.54 |
| Molecular Formula: | C29 H25 F N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C(Cn2cnc3c2C(N(Cc2ccc(cc2)OC)C(N3c2ccc(cc2)F)=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.522 |
| logD: | 4.522 |
| logSw: | -4.3584 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.065 |
| InChI Key: | KBDXDQAGJCJPHM-UHFFFAOYSA-N |