AC1N4V47

N-benzyl-6-[(4-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxamide

Also Known As: SR-01000555641-1|F6548-3376|N-benzyl-9-{[(4-nitrophenyl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-5-carboxamide|N-benzyl-6-[(4-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxamide|N-benzyl-6-((4-nitrobenzyl)thio)benzo[4,5]imidazo[1,2-c]quinazoline-3-carboxamide|N-BENZYL-6-[(4-NITROBENZYL)SULFANYL]BENZIMIDAZO[1,2-C]QUINAZOLINE-3-CARBOXAMIDE|N-benzyl-6-[(4-nitrobenzyl)thio]benzimidazo[1,2-c]quinazoline-3-carboxamide

Molecular Formula	C29H21N5O3S
Molecular Weight	519.13654 g/mol
LogP	6.1662
Topological Polar Surface Area	102.43 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	519.13654
Monoisotopic Mass	519.13654
Heavy Atoms	38
Complexity	1817.9563

Chemical Identifiers

CAS Number	443670-72-2
SMILES	C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC=C(C=C6)[N+](=O)[O-]