N-[(3-fluorophenyl)methyl]-2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
N-[(3-fluorophenyl)methyl]-2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V004-2898 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-2-[1-methyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide |
| Molecular Weight: | 590.66 |
| Molecular Formula: | C35 H31 F N4 O4 |
| Smiles: | CN1C2CN(C(Cc3ccccc3)C(NCc3cccc(c3)F)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2276 |
| logD: | 5.2137 |
| logSw: | -5.1176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.754 |
| InChI Key: | BMPHBYVIVPWYPI-UHFFFAOYSA-N |