1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | C200-6000 |
| Compound Name: | 1-ethyl-6-[(4-fluorophenyl)methyl]-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 522.55 |
| Molecular Formula: | C27 H28 F2 N6 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(N3CCN(CC3)c3ccccc3F)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6919 |
| logD: | 2.6919 |
| logSw: | -2.7719 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.695 |
| InChI Key: | HWPMKWRMRNMKAZ-UHFFFAOYSA-N |