SMILES:
CNC(=O)c1ccc(C=CC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1Molecular Processing
Molecular formula
C37H33Cl2N5O5
Molecular weight
698.61
Exact mass
697.1859
XLogP
6.56
TPSA
122.75
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
49
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.162
Molar refractivity
191.13
Supplementary Information
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