AC1NWIUZ
[2-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-methoxyphenyl] acetate
Also Known As: AN-655/14614024|SR-01000502893-1|2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methoxyphenyl acetate|[2-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-methoxyphenyl] acetate|2-(7-acetyl-3-(butylthio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)-4-methoxyphenyl acetate
| Molecular Formula | C25H26N4O5S |
|---|---|
| Molecular Weight | 494.16238 g/mol |
| LogP | 4.8088 |
| Topological Polar Surface Area | 103.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.16238 |
| Monoisotopic Mass | 494.16238 |
| Heavy Atoms | 35 |
| Complexity | 1252.2769 |
Chemical Identifiers
| CAS Number | 354783-45-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)OC)OC(=O)C)C(=O)C)N=N1 |
Product Overview
AC1NWIUZ (CAS 354783-45-2), with molecular formula C25H26N4O5S and molecular weight 494.16238 g/mol. IUPAC: [2-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-methoxyphenyl] acetate.
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