Name: phthalidyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
SMILES:
CCCc1nc(C(C)(C)O)c(C(=O)OC2OC(=O)c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C51H44N6O5
Molecular weight
820.95
Exact mass
820.3373
XLogP
9.3
TPSA
134.25
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
62
Rings
9
Aromatic rings
8
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
233.88
Supplementary Information
Details werden geladen…
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