N-benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
Chemical Structure Depiction of
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
Compound characteristics
| Compound ID: | V004-4674 |
| Compound Name: | N-benzyl-N-[2-(dimethylamino)ethyl]-2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C33 H45 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(C(CC(C)C)C(N(CCN(C)C)Cc3ccccc3)=O)C(C=2C(c2ccc(C)cc2C)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8951 |
| logD: | 4.12 |
| logSw: | -4.4592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.879 |
| InChI Key: | ZRNVJYCBMOBCGE-UHFFFAOYSA-N |