Name: 4'-[[2-n-propyl-4-methyl-6-(2-oxo-piperidin-1-yl)-benzimidazol-1-yl]-methyl]-2-(2-triphenylmethyl-tetrazol-5-yl)biphenyl
SMILES:
CCCc1nc2c(C)cc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1Molecular Processing
Molecular formula
C49H45N7O
Molecular weight
747.95
Exact mass
747.3686
XLogP
10.02
TPSA
81.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
57
Rings
9
Aromatic rings
8
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.204
Molar refractivity
227.07
Supplementary Information
Details werden geladen…
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