2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-[(oxolan-2-yl)methyl]pentanamide
Chemical Structure Depiction of
2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-[(oxolan-2-yl)methyl]pentanamide
2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-[(oxolan-2-yl)methyl]pentanamide
Compound characteristics
| Compound ID: | V023-1465 |
| Compound Name: | 2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-[(oxolan-2-yl)methyl]pentanamide |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C25 H33 N5 O6 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCC3CCCO3)=O)C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.312 |
| logD: | 2.0922 |
| logSw: | -2.8851 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.273 |
| InChI Key: | GTYSSPJUPIGYGG-UHFFFAOYSA-N |