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-[(3-fluorophenyl)methyl]-3-phenylpropanamide
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-[(3-fluorophenyl)methyl]-3-phenylpropanamide
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-[(3-fluorophenyl)methyl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V009-0413 |
| 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-[(3-fluorophenyl)methyl]-3-phenylpropanamide |
| Molecular Weight: | 604.68 |
| Molecular Formula: | C36 H33 F N4 O4 |
| Smiles: | CCN1C2CN(C(Cc3ccccc3)C(NCc3cccc(c3)F)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8041 |
| logD: | 5.7991 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.713 |
| InChI Key: | QELJVYMRTWSXOZ-UHFFFAOYSA-N |