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]-3-phenyl-N-[2-(pyridin-2-yl)ethyl]propanamide
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]-3-phenyl-N-[2-(pyridin-2-yl)ethyl]propanamide
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]-3-phenyl-N-[2-(pyridin-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | V010-5893 |
| 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]-3-phenyl-N-[2-(pyridin-2-yl)ethyl]propanamide |
| Molecular Weight: | 535.65 |
| Molecular Formula: | C32 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C1C2=C(CN(C(Cc3ccccc3)C(NCCc3ccccn3)=O)C2=O)N(CC=C)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7735 |
| logD: | 3.7496 |
| logSw: | -3.8342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.604 |
| InChI Key: | RGTCLSQUFIYXAK-UHFFFAOYSA-N |