AC1MKWYN
8-tert-butyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
Also Known As: BAS 13152330|2-(8-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-3-yl)phenyl methyl ether|AN-465/43369065|8-tert-butyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine|8-(tert-butyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine|8-tert-Butyl-3-(2-methoxy-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine|8-tert-butyl-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12012 g/mol |
| LogP | 3.8233 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.12012 |
| Monoisotopic Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 755.7466 |
Chemical Identifiers
| CAS Number | 875005-75-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=NN2C(=NN=C2S1)C3=CC=CC=C3OC |
Product Overview
AC1MKWYN (CAS 875005-75-7), with molecular formula C16H18N4OS and molecular weight 314.12012 g/mol. IUPAC: 8-tert-butyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine.
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