AC1M2MGU

1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Also Known As: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone|F1743-0058|2-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone|1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone|1-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-2-{[4-(PROP-2-EN-1-YL)-5-[(QUINOLIN-8-YLOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHAN-1-ONE|1-[3,5-bis(tert-butyl)-4-hydroxyphenyl]-2-[4-prop-2-enyl-5-(8-quinolyloxymethy l)(1,2,4-triazol-3-ylthio)]ethan-1-one

Molecular Formula	C31H36N4O3S
Molecular Weight	544.2508 g/mol
LogP	6.8669
Topological Polar Surface Area	90.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	544.2508
Monoisotopic Mass	544.2508
Heavy Atoms	39
Complexity	1472.2805

Chemical Identifiers

CAS Number	690249-79-7
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC4=C3N=CC=C4