ChemDiv3_004001
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: ChemDiv3_004001|Oprea1_064772|IDI1_021911|AF-399/40851155|BRD-K38490063-001-01-6|1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone|1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one|1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-({8-methyl-2,4,5-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-3-yl}sulfanyl)ethan-1-one|1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone|1-[2,5-dimethyl-1-benzylpyrrol-3-yl]-2-(5-methyl(10-hydro-1,2,4-triazolo[4,3-a ]quinolinylthio))ethan-1-one
| Molecular Formula | C26H24N4OS |
|---|---|
| Molecular Weight | 440.16708 g/mol |
| LogP | 5.63256 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.16708 |
| Monoisotopic Mass | 440.16708 |
| Heavy Atoms | 32 |
| Complexity | 1449.5397 |
Chemical Identifiers
| CAS Number | 379237-53-3 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)CC5=CC=CC=C5)C |
Product Overview
ChemDiv3_004001 (CAS 379237-53-3), with molecular formula C26H24N4OS and molecular weight 440.16708 g/mol. IUPAC: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.