SMILES:
CCC=Cc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1Molecular Processing
Molecular formula
C23H21ClN2O3
Molecular weight
408.89
Exact mass
408.1241
XLogP
5.27
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
114.27
Supplementary Information
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