4-(2,4-dichlorophenyl)-1-ethyl-6-{2-oxo-2-[4-(2-phenylethyl)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-(2-phenylethyl)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-(2-phenylethyl)piperazin-1-yl]ethyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-3325 |
| Compound Name: | 4-(2,4-dichlorophenyl)-1-ethyl-6-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 556.49 |
| Molecular Formula: | C28 H31 Cl2 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(CC(N3CCN(CCc4ccccc4)CC3)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.504 |
| logD: | 3.4333 |
| logSw: | -3.8518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.373 |
| InChI Key: | NXJVEYHQOWEJRR-AREMUKBSSA-N |