이름: N-(ethoxycarbonyl)-N′-[(2-chlorophenyl)(4-chlorophenyl)methyl]piperazine
SMILES:
CCOC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1Molecular Processing
Molecular formula
C20H22Cl2N2O2
Molecular weight
393.31
Exact mass
392.1058
XLogP
4.86
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
104.92
Supplementary Information
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