Name: 7-[2-(3-Benzyl-3H-imidazol-4-yl)-ethoxy]-4-(2-chloro-phenyl)-chromen-2-one
SMILES:
O=c1cc(-c2ccccc2Cl)c2ccc(OCCc3cncn3Cc3ccccc3)cc2o1Molecular Processing
Molecular formula
C27H21ClN2O3
Molecular weight
456.93
Exact mass
456.1241
XLogP
5.98
TPSA
57.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
129.9
Supplementary Information
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