Name: 7-[2-(3-Benzyl-3H-imidazol-4-yl)-ethoxy]-4-(2-chloro-phenyl)-8-propyl-chromen-2-one
SMILES:
CCCc1c(OCCc2cncn2Cc2ccccc2)ccc2c(-c3ccccc3Cl)cc(=O)oc12Molecular Processing
Molecular formula
C30H27ClN2O3
Molecular weight
499.01
Exact mass
498.171
XLogP
6.93
TPSA
57.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
36
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
0.2
Molar refractivity
143.89
Supplementary Information
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