7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-3487 |
| Compound Name: | 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C21 H25 F N6 O3 |
| Smiles: | CCC(N1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5715 |
| logD: | 2.5713 |
| logSw: | -2.5531 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.898 |
| InChI Key: | ZXBPNUCJIVHYJB-UHFFFAOYSA-N |