Название: ethyl 2-n-propyl-3-[2'-(1-trityl-1 H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
SMILES:
CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)C(C(=O)OCC)NCC2Molecular Processing
Molecular formula
C45H43N7O2
Molecular weight
713.89
Exact mass
713.3478
XLogP
7.79
TPSA
99.75
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
54
Rings
8
Aromatic rings
7
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
209.7
Supplementary Information
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