2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
Chemical Structure Depiction of
2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
Compound characteristics
| Compound ID: | V004-3283 |
| Compound Name: | 2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide |
| Molecular Weight: | 570.66 |
| Molecular Formula: | C33 H35 F N4 O4 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCc3ccc(cc3)F)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2358 |
| logD: | 5.2307 |
| logSw: | -4.9986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.985 |
| InChI Key: | KQHDGRBFWLPEOY-UHFFFAOYSA-N |