2-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-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-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide
2-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-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: | V012-6220 |
| Compound Name: | 2-[1-methyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-3-phenylpropanamide |
| Molecular Weight: | 519.56 |
| Molecular Formula: | C27 H29 N5 O6 |
| Smiles: | CN1C2CN(C(Cc3ccccc3)C(NCC3CCCO3)=O)C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1689 |
| logD: | 1.7149 |
| logSw: | -2.9042 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.043 |
| InChI Key: | VOHNHYNMQKWEIR-UHFFFAOYSA-N |