2-[4-(4-tert-butylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[4-(4-tert-butylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
2-[4-(4-tert-butylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | V004-4406 |
| Compound Name: | 2-[4-(4-tert-butylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide |
| Molecular Weight: | 529.47 |
| Molecular Formula: | C27 H30 Cl2 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C2=C(CN(CC(NCCc3ccc(cc3[Cl])[Cl])=O)C2=O)N(C)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6138 |
| logD: | 4.5709 |
| logSw: | -4.8753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.815 |
| InChI Key: | XUGSGYADPCTFLM-XMMPIXPASA-N |