Name: (4Benzyl-6-ethoxycarbonylmethyl-1-methylpiperazin-2-yl)acetic acid ethyl ester
SMILES:
CCOC(=O)CC1CN(Cc2ccccc2)CC(CC(=O)OCC)N1CMolecular Processing
Molecular formula
C20H30N2O4
Molecular weight
362.47
Exact mass
362.2206
XLogP
2.08
TPSA
59.08
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
99.56
Supplementary Information
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