6-{2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-{2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-{2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V018-8493 |
| Compound Name: | 6-{2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-fluorophenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C27 H30 F N5 O3 |
| Smiles: | Cc1cccc(C)c1N1CCN(CC1)C(CN1CC2=C(C(c3ccc(cc3)F)NC(N2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.231 |
| logD: | 2.126 |
| logSw: | -2.5585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.553 |
| InChI Key: | LMCAKYAKBMUSNS-XMMPIXPASA-N |