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]-N-[2-(pyridin-2-yl)ethyl]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]-N-[2-(pyridin-2-yl)ethyl]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]-N-[2-(pyridin-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | V017-0376 |
| 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]-N-[2-(pyridin-2-yl)ethyl]acetamide |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C24 H24 F N5 O3 |
| Smiles: | C=CCN1C2CN(CC(NCCc3ccccn3)=O)C(C=2C(c2ccc(cc2)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1164 |
| logD: | 1.0632 |
| logSw: | -1.9847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.571 |
| InChI Key: | BKMJXUXJMMTORE-JOCHJYFZSA-N |