Maraviroc

4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide

Also Known As: Maraviroc|Celsentri|Selzentry|cc-57|US9107954, maraviroc|Maraviroc (UK427857)|s2003|AN-5246|NCGC00183109-08|NCGC00183109-10|NCGC00183109-11|NCGC00183109-12|NCGC00242513-01|NCGC00242513-02|NCGC00242513-03|SW219829-1|J3.309.645C|AB01274748-01|AB01274748_02|BRD-A04352665-001-01-2|BRD-A04352665-001-02-0|BRD-A04352665-001-05-3|4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide|4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide|376348-65-1, UK-427857, UK427857|4,4-difluoro-N-[(1S)-3-[3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide|4,4-difluoro-n-[(1s)-3-{3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide|4,4-difluoro-N-[(1S)-3-{3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-phenylpropyl]cyclohexane-1-carboxamide|4,4-difluoro-N-[(1S)-3-[3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide|4,4-Difluoro-N-{(1S)-3-[3-(3-isopropyl- 5-methyl-4H-1,2,4-triazol-4-yl)- 8-azabicyclo[3.2.1]oct-8-yl]-1- phenylpropyl}cyclohexanecarboxamide

Molecular Formula	C29H41F2N5O
Molecular Weight	513.32794 g/mol
LogP	5.1
Topological Polar Surface Area	63.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	513.32794
Monoisotopic Mass	513.32794
Heavy Atoms	37
Complexity	751.0

Chemical Identifiers

CAS Number	3786-88-7
SMILES	CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
InChIKey	GSNHKUDZZFZSJB-ILVMPNSOSA-N