AC1NKGJI
8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: AO-022/43453244|8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|8-(5-BROMO-2-METHOXYPHENYL)-3-(4-FLUOROPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C21H17BrFN3O2S |
|---|---|
| Molecular Weight | 473.0209 g/mol |
| LogP | 4.81628 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.0209 |
| Monoisotopic Mass | 473.0209 |
| Heavy Atoms | 29 |
| Complexity | 1035.212 |
Chemical Identifiers
| CAS Number | 896089-81-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)F |
Product Overview
AC1NKGJI (CAS 896089-81-9), with molecular formula C21H17BrFN3O2S and molecular weight 473.0209 g/mol. IUPAC: 8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
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