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-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V010-5813 |
| 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-(2-methylpropyl)-3-phenylpropanamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C29 H34 N4 O3 |
| Smiles: | CC(C)CNC(C(Cc1ccccc1)N1CC2=C(C(c3ccc(C)cc3)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4184 |
| logD: | 4.3994 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.491 |
| InChI Key: | YJOFCQXUXUFQKB-UHFFFAOYSA-N |