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-[(oxolan-2-yl)methyl]-3-phenylpropanamide
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-[(oxolan-2-yl)methyl]-3-phenylpropanamide
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-[(oxolan-2-yl)methyl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V013-7765 |
| 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-[(oxolan-2-yl)methyl]-3-phenylpropanamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C29 H31 F N4 O4 |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(NCC3CCCO3)=O)C(C=2C(c2ccc(cc2)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9894 |
| logD: | 2.941 |
| logSw: | -3.2189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.874 |
| InChI Key: | PIIAMPMPRBJXNJ-UHFFFAOYSA-N |