6-benzyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
6-benzyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
6-benzyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | L681-0378 |
| Compound Name: | 6-benzyl-4-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H25 F N6 O3 |
| Smiles: | Cn1cc2c(C(N(Cc3ccccc3)C(N2CC(N2CCN(CC2)c2ccccc2F)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1214 |
| logD: | 2.1214 |
| logSw: | -2.2814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.065 |
| InChI Key: | KBHAGQVPOHLMGD-UHFFFAOYSA-N |