名称: 1-{4-[4,5-bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-2-chloro-ethanone
SMILES:
CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CCl)CC1Molecular Processing
Molecular formula
C31H28Cl3F3N4O3
Molecular weight
667.94
Exact mass
666.1179
XLogP
7.46
TPSA
65.45
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
163.64
Supplementary Information
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