AC1NJQV3

11,11-dimethyl-7-(4-methylanilino)-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile

Also Known As: 8,8-dimethyl-3-((2-(3-nitrophenyl)-2-oxoethyl)thio)-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|8,8-dimethyl-5-(4-methylanilino)-3-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8hpyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|8,8-dimethyl-5-[(4-methylphenyl)amino]-3-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

Molecular Formula	C27H24N6O4S
Molecular Weight	528.15796 g/mol
LogP	5.3875
Topological Polar Surface Area	135.45 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	528.15796
Monoisotopic Mass	528.15796
Heavy Atoms	38
Complexity	1621.5709

Chemical Identifiers

CAS Number	900296-22-2
SMILES	CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C#N