名称: [4,5-bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazol-1-yl]-[4-bromomethyl-piperidin-1-yl]-methanone
SMILES:
CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CBr)CC1Molecular Processing
Molecular formula
C31H29BrCl2F3N3O2
Molecular weight
683.4
Exact mass
681.0772
XLogP
9.18
TPSA
45.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
162.86
Supplementary Information
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