AC1NQSN8

2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-λ5-phosphanylidene)acetonitrile

Also Known As: AE-848/33590038|(4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl)(triphenyl-lambda~5~-phosphanyl)acetonitrile|[4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenylphosphoranylidene)acetonitrile|2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-|[4-Oxo-2-(trichloromethyl)-3,4-dihydro-2H-1,3,5-thiadiazin-6-yl](triphenyl-lambda~5~-phosphanylidene)acetonitrile|2-[4-oxo-2-(trichloromethyl)(2,3-dihydro-1,3,5-thiadiazin-6-yl)]-2-(triphenyly lidene)ethanenitrile

Molecular Formula	C24H17Cl3N3OPS
Molecular Weight	530.98956 g/mol
LogP	5.22768
Topological Polar Surface Area	65.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	530.98956
Monoisotopic Mass	530.98956
Heavy Atoms	33
Complexity	1183.8658

Chemical Identifiers

CAS Number	6503-50-0
SMILES	C1=CC=C(C=C1)P(=C(C#N)C2=NC(=O)NC(S2)C(Cl)(Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4