이름: 2-n-butyl-4-chloro 1-[(2′-(2-triphenylmethyl-2H-tetrazol-5-yl)-1,1′biphenyl-4-yl)-me thyl]-1H-imidazol-5-methanol methyl-isobutyl ketone
SMILES:
CC(=O)CC(C)C.CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1Molecular Processing
Molecular formula
C47H49ClN6O2
Molecular weight
765.4
Exact mass
764.3606
XLogP
10.2
TPSA
98.72
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
56
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.255
Molar refractivity
224.3
Supplementary Information
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