1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | C200-6080 |
| Compound Name: | 1-ethyl-4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C28 H31 F N6 O3 |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(N3CCN(CC3)c3ccc(cc3)F)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.789 |
| logD: | 2.789 |
| logSw: | -2.9353 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.974 |
| InChI Key: | LNNUXSIVYNSKLM-UHFFFAOYSA-N |