AC1Q2HOA

1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

Also Known As: UPCMLD0ENAT0513-4684:001|AF-399/40714298|1-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone|1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone|1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone|1-[2,5-dimethyl-1-(2-phenylethyl)-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-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-(5-methyl(10-hydro-1,2,4-triaz olo[4,3-a]quinolinylthio))ethan-1-one

Molecular Formula	C27H26N4OS
Molecular Weight	454.18274 g/mol
LogP	5.82696
Topological Polar Surface Area	52.19 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	454.18274
Monoisotopic Mass	454.18274
Heavy Atoms	33
Complexity	1466.3407

Chemical Identifiers

CAS Number	374693-06-8
SMILES	CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)CCC5=CC=CC=C5)C