Name: [1-(2-{5-[4′-(2-Pyrrolidin-2-yl-3H-imidazol-4-yl)-biphenyl-4-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-3-(2,2,2-trifluoroethoxy)-propyl]-carbamic acid methyl ester
SMILES:
COC(=O)NC(CCOCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1Molecular Processing
Molecular formula
C34H38F3N7O4
Molecular weight
665.72
Exact mass
665.2937
XLogP
5.92
TPSA
137.26
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
48
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
171.53
Supplementary Information
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Involved in 13 reactions→