AC1NJOPC

2-[[8-cyano-11,11-dimethyl-7-(4-methylanilino)-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-(2-nitrophenyl)acetamide

Also Known As: 2-((6-cyano-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl)thio)-N-(2-nitrophenyl)acetamide|2-({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide

Molecular Formula	C27H25N7O4S
Molecular Weight	543.1689 g/mol
LogP	5.1433
Topological Polar Surface Area	147.48 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	543.1689
Monoisotopic Mass	543.1689
Heavy Atoms	39
Complexity	1640.8855

Chemical Identifiers

CAS Number	879445-35-9
SMILES	CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC(=O)NC5=CC=CC=C5[N+](=O)[O-])C#N