2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | V009-8880 |
| Compound Name: | 2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Smiles: | CC(C)CNC(C(C)N1CC2=C(C(c3cccc(c3)Oc3ccccc3)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8501 |
| logD: | 3.844 |
| logSw: | -4.0211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.926 |
| InChI Key: | QNFGMCRHNHCDAC-UHFFFAOYSA-N |