AC1NK171

7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one

Also Known As: 7-phenyl-1-(pyridin-4-ylmethyl)-2-thioxo-5,5-bis(trifluoromethyl)-2,3,5,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one|7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one|7-phenyl-1-(pyridin-4-ylmethyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidin-4-one

Molecular Formula	C20H13F6N5OS
Molecular Weight	485.0745 g/mol
LogP	4.54139
Topological Polar Surface Area	75.07 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	485.0745
Monoisotopic Mass	485.0745
Heavy Atoms	33
Complexity	1315.527

Chemical Identifiers

CAS Number	879445-39-3
SMILES	C1=CC=C(C=C1)C2=NC(C3=C(N2)N(C(=S)NC3=O)CC4=CC=NC=C4)(C(F)(F)F)C(F)(F)F