Name: diethyl 2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-4,5-dicarboxylate
SMILES:
CCCc1nc(C(=O)OCC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C45H42N6O4
Molecular weight
730.87
Exact mass
730.3268
XLogP
8.4
TPSA
114.02
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
55
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
210.53
Supplementary Information
Details werden geladen…
An 6 Reaktionen beteiligt→