AC1LYOO6 structure

AC1LYOO6

12,12-dimethyl-4-(3-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Also Known As: 6,6-dimethyl-2-((2-methylallyl)thio)-3-(m-tolyl)-5,6-dihydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|6,6-dimethyl-3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

CAS: 489462-50-2
Molecular Formula C22H24N2OS3
Molecular Weight 428.10507 g/mol
LogP 5.99172
Topological Polar Surface Area 34.89 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 428.10507
Monoisotopic Mass 428.10507
Heavy Atoms 28
Complexity 1140.6248

Chemical Identifiers

CAS Number 489462-50-2
SMILES CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=C)C)SC4=C3CC(SC4)(C)C

Product Overview

AC1LYOO6 (CAS 489462-50-2), with molecular formula C22H24N2OS3 and molecular weight 428.10507 g/mol. IUPAC: 12,12-dimethyl-4-(3-methylphenyl)-5-(2-methylprop-2-enylsulfanyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.

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