2-[4-(3-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-[(furan-2-yl)methyl]-3-phenylpropanamide
Chemical Structure Depiction of
2-[4-(3-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-[(furan-2-yl)methyl]-3-phenylpropanamide
2-[4-(3-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-[(furan-2-yl)methyl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V023-1455 |
| Compound Name: | 2-[4-(3-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-[(furan-2-yl)methyl]-3-phenylpropanamide |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C29 H27 F N4 O4 |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(NCc3ccco3)=O)C(C=2C(c2cccc(c2)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0199 |
| logD: | 4.0008 |
| logSw: | -4.236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.968 |
| InChI Key: | BKTBYPDTGGHCCH-UHFFFAOYSA-N |