4-(4-chlorophenyl)-6-[1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-[1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(4-chlorophenyl)-6-[1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V022-7691 |
| Compound Name: | 4-(4-chlorophenyl)-6-[1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl]-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 505.02 |
| Molecular Formula: | C28 H29 Cl N4 O3 |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(N3CCCC3)=O)C(C=2C(c2ccc(cc2)[Cl])NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2014 |
| logD: | 4.153 |
| logSw: | -4.8191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.82 |
| InChI Key: | JMALVRSVNUPOKO-UHFFFAOYSA-N |