AC1NKE27

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

Also Known As: 3-((2-(4-chlorophenyl)-2-oxoethyl)thio)-8,8-dimethyl-5-(phenylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-5-(phenylamino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|5-anilino-3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-7,10-dihydro-8h-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

Molecular Formula	C26H22ClN5O2S
Molecular Weight	503.1183 g/mol
LogP	5.82428
Topological Polar Surface Area	92.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	503.1183
Monoisotopic Mass	503.1183
Heavy Atoms	35
Complexity	1459.6215

Chemical Identifiers

CAS Number	902014-79-3
SMILES	CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Cl)C