7-[(3,4-diethoxyphenyl)methyl]-8-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-diethoxyphenyl)methyl]-8-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-diethoxyphenyl)methyl]-8-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-3087 |
| Compound Name: | 7-[(3,4-diethoxyphenyl)methyl]-8-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 610.71 |
| Molecular Formula: | C30 H35 F N6 O5 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(N2CCN(CC2)c2ccc(cc2)F)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.9742 |
| logD: | 3.9742 |
| logSw: | -3.8966 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.088 |
| InChI Key: | XKWFRRXAQVUNCR-UHFFFAOYSA-N |