AC1MKOWF
3-(2,4-dimethoxyphenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: BAS 11177777|SR-01000128696-1|3-(2,4-dimethoxyphenyl)-6-oxo-8-phenyl-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-(2,4-dimethoxyphenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-(2,4-DIMETHOXYPHENYL)-6-OXO-8-PHENYL-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE|3-(2,4-dimethoxyphenyl)-6-oxo-8-phenyl-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13037 g/mol |
| LogP | 3.92328 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.13037 |
| Monoisotopic Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1000.10724 |
Chemical Identifiers
| CAS Number | 876887-34-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=CC=C4)OC |
Product Overview
AC1MKOWF (CAS 876887-34-2), with molecular formula C22H21N3O3S and molecular weight 407.13037 g/mol. IUPAC: 3-(2,4-dimethoxyphenyl)-6-oxo-8-phenyl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
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