الاسم: benzyl 2-[(4-{[(3,4-dichlorophenyl)amino]carbonyl}piperazin-1-yl)methyl]-4-ethylpiperazine-1-carboxylate
SMILES:
CCN1CCN(C(=O)OCc2ccccc2)C(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1Molecular Processing
Molecular formula
C26H33Cl2N5O3
Molecular weight
534.49
Exact mass
533.196
XLogP
4.49
TPSA
68.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
142.73
Supplementary Information
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