AC1MS3SB
methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_404429|Oprea1_539085|SR-01000484489-1|methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate|METHYL 4-(2-CHLOROPHENYL)-5-CYANO-2-METHYL-6-({[(4-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE|methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H22ClN3O3S |
|---|---|
| Molecular Weight | 467.10703 g/mol |
| LogP | 4.8893 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.10703 |
| Monoisotopic Mass | 467.10703 |
| Heavy Atoms | 32 |
| Complexity | 1149.8246 |
Chemical Identifiers
| CAS Number | 369393-65-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=CC=C3Cl)C#N |
Product Overview
AC1MS3SB (CAS 369393-65-7), with molecular formula C24H22ClN3O3S and molecular weight 467.10703 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.