4-(2,4-dichlorophenyl)-1-ethyl-6-{3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl}-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-{3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2,4-dichlorophenyl)-1-ethyl-6-{3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V025-1304 |
| Compound Name: | 4-(2,4-dichlorophenyl)-1-ethyl-6-{3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl}-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 570.52 |
| Molecular Formula: | C29 H33 Cl2 N5 O3 |
| Smiles: | CCN1C2CN(CCC(N3CCN(CCc4ccccc4)CC3)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5991 |
| logD: | 3.4952 |
| logSw: | -3.8704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.351 |
| InChI Key: | USVWUOIVCGMPNG-HHHXNRCGSA-N |