AC1MFP7Q
[4-(10-bromo-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate
Also Known As: AN-655/40858743|[4-(10-bromo-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate|4-[3-(allylsulfanyl)-10-bromo-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propionate|4-(3-(allylthio)-10-bromo-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)phenyl propionate
| Molecular Formula | C22H19BrN4O3S |
|---|---|
| Molecular Weight | 498.03613 g/mol |
| LogP | 5.3977 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.03613 |
| Monoisotopic Mass | 498.03613 |
| Heavy Atoms | 31 |
| Complexity | 1124.2389 |
Chemical Identifiers
| CAS Number | 486995-71-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC=C |
Product Overview
AC1MFP7Q (CAS 486995-71-5), with molecular formula C22H19BrN4O3S and molecular weight 498.03613 g/mol. IUPAC: [4-(10-bromo-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate.
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