Name: N-(4-acetylamino-5-chloro-2-methoxyphenyl)-4-benzylpiperazine-1-carboxamide
SMILES:
COc1cc(NC(C)=O)c(Cl)cc1NC(=O)N1CCN(Cc2ccccc2)CC1Molecular Processing
Molecular formula
C21H25ClN4O3
Molecular weight
416.91
Exact mass
416.1615
XLogP
3.66
TPSA
73.91
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
114.62
Supplementary Information
Details werden geladen…
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