4-(2,4-dichlorophenyl)-1-ethyl-6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-(2,4-dichlorophenyl)-1-ethyl-6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2,4-dichlorophenyl)-1-ethyl-6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V003-9975 |
| Compound Name: | 4-(2,4-dichlorophenyl)-1-ethyl-6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 529.43 |
| Molecular Formula: | C25 H26 Cl2 N6 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(CC(N3CCN(CC3)c3ccccn3)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2342 |
| logD: | 3.1849 |
| logSw: | -3.4881 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.625 |
| InChI Key: | LHPDKLIYLRSUGM-HSZRJFAPSA-N |