Name: tert-butyl (1R,3S,5R)-3-(5-(2-(2-((1R,3S,5R)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hex-3-yl)-1H-benzimidazol-6-yl)-6-quinoxalinyl)-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILES:
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2cc(-c3ccc4nc(-c5ccc6nc([C@@H]7C[C@H]8C[C@H]8N7C(=O)OC(C)(C)C)[nH]c6c5)cnc4c3)ccc2[nH]1Molecular Processing
Molecular formula
C42H44N8O4
Molecular weight
724.87
Exact mass
724.3486
XLogP
8.86
TPSA
142.22
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
54
Rings
10
Aromatic rings
6
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
204.37
Supplementary Information
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