ITA 437
9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: ITA 437|ITA-437|N-Allyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-thiocarboxamide|3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-allyl-9-oxo-2,4,6,8-tetraphenyl-|9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide|N-Allyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide|9-oxo-2,4,6,8-tetraphenyl-N-(prop-2-en-1-yl)-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide|9-Oxo-2,4,6,8-tetraphenyl-N-(prop-2-en-1-yl)-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid
| Molecular Formula | C35H33N3OS |
|---|---|
| Molecular Weight | 543.23444 g/mol |
| LogP | 6.7324 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.23444 |
| Monoisotopic Mass | 543.23444 |
| Heavy Atoms | 40 |
| Complexity | 1363.0361 |
Chemical Identifiers
| CAS Number | 82058-34-2 |
|---|---|
| SMILES | C=CCNC(=S)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
ITA 437 (CAS 82058-34-2), with molecular formula C35H33N3OS and molecular weight 543.23444 g/mol. IUPAC: 9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide.
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