Name: 5-(1-methylundecyl)amino-1,2,3-benzenetricarboxylic acid triphenyl ester
SMILES:
CCCCCCCCCCC(C)Nc1cc(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c(C(=O)Oc2ccccc2)c1Molecular Processing
Molecular formula
C39H43NO6
Molecular weight
621.77
Exact mass
621.309
XLogP
9.68
TPSA
90.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
46
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
180.96
Supplementary Information
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