AC1NIQIS
3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-BENZYL-8-(2-CHLORO-6-FLUOROPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE|3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|9-benzyl-4-(2-chloro-6-fluoro-phenyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile
| Molecular Formula | C21H17ClFN3OS |
|---|---|
| Molecular Weight | 413.07648 g/mol |
| LogP | 4.69418 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.07648 |
| Monoisotopic Mass | 413.07648 |
| Heavy Atoms | 28 |
| Complexity | 968.6404 |
Chemical Identifiers
| CAS Number | 896089-63-7 |
|---|---|
| SMILES | C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CC=C3)C#N)C4=C(C=CC=C4Cl)F |
Product Overview
AC1NIQIS (CAS 896089-63-7), with molecular formula C21H17ClFN3OS and molecular weight 413.07648 g/mol. IUPAC: 3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
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