AC1N91NC

5-[[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3H-isoindol-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Also Known As: KS-000035PN|3H-912|5-[[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione|5-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-isoindol-3-yl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione|5-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-isoindol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Molecular Formula	C21H14ClF3N4O3
Molecular Weight	462.07065 g/mol
LogP	3.6227
Topological Polar Surface Area	82.94 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	462.07065
Monoisotopic Mass	462.07065
Heavy Atoms	32
Complexity	1213.0359

Chemical Identifiers

CAS Number	338409-95-3
SMILES	CN1C(=O)C(=CC2=NC(C3=CC=CC=C32)C4=C(C=C(C=N4)C(F)(F)F)Cl)C(=O)N(C1=O)C