HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Butyl-4-oxo-4,5-dihydro-3-((2'-(1H-tetrazol-5-yl)-4-biphenylyl)methyl)-3H-imidazo(4,5-c)pyridine-5-(N,N-diethylacetamide)
2-butyl-4-oxo-4,5-dihydro-3-((2'-(1H-tetrazol-5-yl)-4-biphenylyl)methyl)-3H-imidazo(4,5-c)pyridine-5-(N,N-diethylacetamide) · 5H-Imidazo[4,5-c]pyridine-5-acetamide, 2-butyl-N,N-diethyl-3,4-dihydro-4-oxo-3-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
Identifiers & Physical Properties
| CAS No. | 156222-09-2 |
|---|---|
| Molecular formula | C30H34N8O2 |
| Average molar mass | 538.6 g/mol |
| Monoisotopic mass | 538.28047236 g/mol |
| SMILES | CCCCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
| InChIKey | VDFOBEUYPXRSDL-UHFFFAOYSA-N |
| PubChem CID | 190830 |
| ChEMBL | CHEMBL295854 |
| DTXSID | DTXSID40935403 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 113 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 11 |
| Heavy atoms | 40 |
| Formal charge | 0 |
| Complexity | 874 |