AC1MDAKK
methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: Oprea1_346900|AB00075349-01|AE-848/34411039|SR-01000198663-1|Methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate|methyl {[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate|methyl {[5-(anilinocarbonyl)-3-cyano-6-methyl-4-phenyl-1,4-dihydro-2-pyridinyl]sulfanyl}acetate|Methyl {[5-(anilinocarbonyl)-3-cyano-6-methyl-4-phenyl-1,4-dihydro-2-pyridinyl]thio}acetate|methyl 2-((3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl)thio)acetate
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13037 g/mol |
| LogP | 3.92748 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13037 |
| Monoisotopic Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1040.3679 |
Chemical Identifiers
| CAS Number | 185409-72-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3 |
Product Overview
AC1MDAKK (CAS 185409-72-7), with molecular formula C23H21N3O3S and molecular weight 419.13037 g/mol. IUPAC: methyl 2-[[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
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