이름: 2-[[2-[4-(1H-imidazol-1-yl)phenoxy]ethyl](phenylmethyl)amino]-1-(2-methoxyphenyl)ethanone
SMILES:
COc1ccccc1C(=O)CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccccc1Molecular Processing
Molecular formula
C27H27N3O3
Molecular weight
441.53
Exact mass
441.2052
XLogP
4.64
TPSA
56.59
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
128.1
Supplementary Information
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