AC1NWIZS
1-[3-butylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/14614002|1-[3-butylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone|1-[3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone|1-[3-(BUTYLSULFANYL)-6-(2,4,5-TRIMETHOXYPHENYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE|7-acetyl-3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C25H28N4O5S |
|---|---|
| Molecular Weight | 496.17804 g/mol |
| LogP | 4.9007 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.17804 |
| Monoisotopic Mass | 496.17804 |
| Heavy Atoms | 35 |
| Complexity | 1222.4567 |
Chemical Identifiers
| CAS Number | 354782-75-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4OC)OC)OC)C(=O)C)N=N1 |
Product Overview
AC1NWIZS (CAS 354782-75-5), with molecular formula C25H28N4O5S and molecular weight 496.17804 g/mol. IUPAC: 1-[3-butylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
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