ITA 428
N-ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
| Molecular Formula | C34H33N3O2 |
|---|---|
| Molecular Weight | 515.6 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 61.4 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.25726 |
| Heavy Atoms | 39 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 82058-25-1 |
|---|---|
| SMILES | CCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | ITMYAKZQPZORAN-UHFFFAOYSA-N |
📖 Product Overview
ITA 428 (CAS: 82058-25-1) is a chemical compound with molecular formula C34H33N3O2 and molecular weight 515.6 g/mol. Its IUPAC systematic name is N-ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
ITMYAKZQPZORAN-UHFFFAOYSA-N.
SMILES: CCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.
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