AC1MDQRR
methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: Oprea1_230046|SR-01000204465-1|Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate|methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate|methyl {[5-(anilinocarbonyl)-3-cyano-6-methyl-4-(5-methyl-2-furyl)-1,4-dihydro-2-pyridinyl]thio}acetate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.12527 g/mol |
| LogP | 3.8289 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Monoisotopic Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1063.5519 |
Chemical Identifiers
| CAS Number | 415688-15-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)OC)C#N |
Product Overview
AC1MDQRR (CAS 415688-15-2), with molecular formula C22H21N3O4S and molecular weight 423.12527 g/mol. IUPAC: methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
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