N-[([1,1'-biphenyl]-4-yl)methyl]-2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[([1,1'-biphenyl]-4-yl)methyl]-2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
N-[([1,1'-biphenyl]-4-yl)methyl]-2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | V001-6524 |
| Compound Name: | N-[([1,1'-biphenyl]-4-yl)methyl]-2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 527.02 |
| Molecular Formula: | C30 H27 Cl N4 O3 |
| Smiles: | C=CCN1C2CN(CC(NCc3ccc(cc3)c3ccccc3)=O)C(C=2C(c2cccc(c2)[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.641 |
| logD: | 4.6219 |
| logSw: | -5.0346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.915 |
| InChI Key: | BAIVDAFIFIMQIN-MUUNZHRXSA-N |