2-[4-(4-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
2-[4-(4-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V022-7762 |
| Compound Name: | 2-[4-(4-fluorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C29 H26 F N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(C(C(NCc3ccccn3)=O)c3ccccc3)C(C=2C(c2ccc(cc2)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8352 |
| logD: | 2.786 |
| logSw: | -3.1466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.798 |
| InChI Key: | YCKCDHBERSHTAG-UHFFFAOYSA-N |