الاسم: 2-(1-(2-amino-5-ethoxyphenyl)-4-benzylpiperazin-2-yl)acetic acid 2-(1-(2-Amino-5-ethoxyphenyl)-4-benzylpiperazin-2-yl)acetic acid
SMILES:
CCOc1ccc(N)c(N2CCN(Cc3ccccc3)CC2CC(=O)O)c1.CCOc1ccc(N)c(N2CCN(Cc3ccccc3)CC2CC(=O)O)c1Molecular Processing
Molecular formula
C42H54N6O6
Molecular weight
738.93
Exact mass
738.4105
XLogP
5.67
TPSA
158.06
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
54
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.381
Molar refractivity
214.26
Supplementary Information
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