2-[4-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | V010-5825 |
| Compound Name: | 2-[4-(4-methylphenyl)-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: | 514.62 |
| Molecular Formula: | C30 H34 N4 O4 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CN(C(Cc3ccccc3)C(NCC3CCCO3)=O)C2=O)N(CC=C)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3837 |
| logD: | 3.3647 |
| logSw: | -3.5334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.874 |
| InChI Key: | OAXDEMVBRIXGJS-UHFFFAOYSA-N |