AC1NJQE3

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

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

Molecular Formula	C27H26N6O2S
Molecular Weight	498.1838 g/mol
LogP	5.2351
Topological Polar Surface Area	104.34 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	498.1838
Monoisotopic Mass	498.1838
Heavy Atoms	36
Complexity	1489.919

Chemical Identifiers

CAS Number	900263-23-2
SMILES	CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C(=C(C4=C3COC(C4)(C)C)C#N)NC5=CC=CC=C5