AC1MDES8
6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: UPCMLD0ENAT0514-1430:001|AE-848/08335046|6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide|6-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-N-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide|6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide|6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
| Molecular Formula | C27H22BrN5O2S |
|---|---|
| Molecular Weight | 559.06775 g/mol |
| LogP | 5.55068 |
| Topological Polar Surface Area | 106.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.06775 |
| Monoisotopic Mass | 559.06775 |
| Heavy Atoms | 36 |
| Complexity | 1366.7827 |
Chemical Identifiers
| CAS Number | 201274-19-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4 |
Product Overview
AC1MDES8 (CAS 201274-19-3), with molecular formula C27H22BrN5O2S and molecular weight 559.06775 g/mol. IUPAC: 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide.
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