AC1MTTOQ
prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_026813|Oprea1_712724|SR-01000084768-1|F1109-0098|PROP-2-EN-1-YL 6-[(CARBAMOYLMETHYL)SULFANYL]-4-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE|allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate|prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate|prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C19H18ClN3O3S |
|---|---|
| Molecular Weight | 403.07574 g/mol |
| LogP | 2.98368 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.07574 |
| Monoisotopic Mass | 403.07574 |
| Heavy Atoms | 27 |
| Complexity | 869.1812 |
Chemical Identifiers
| CAS Number | 489442-76-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OCC=C |
Product Overview
AC1MTTOQ (CAS 489442-76-4), with molecular formula C19H18ClN3O3S and molecular weight 403.07574 g/mol. IUPAC: prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate.
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