Name: 4-(2-Chloro-phenyl)-7-(2-imidazol-1-yl-1-phenyl-ethoxy)-8-propyl-chromen-2-one
SMILES:
CCCc1c(OC(Cn2ccnc2)c2ccccc2)ccc2c(-c3ccccc3Cl)cc(=O)oc12Molecular Processing
Molecular formula
C29H25ClN2O3
Molecular weight
484.98
Exact mass
484.1554
XLogP
7.08
TPSA
57.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
138.96
Supplementary Information
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