이름: (5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R)-2-methyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-carbamic acid 4-nitro-phenyl ester
SMILES:
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(=O)Oc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C27H26ClFN4O6
Molecular weight
556.98
Exact mass
556.1525
XLogP
5.11
TPSA
114.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
142.54
Supplementary Information
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