이름: [4,5-Bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazol-1-yl]-piperazin-1-yl-methanone
SMILES:
CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCC#N)CC1.ClMolecular Processing
Molecular formula
C32H31Cl3F3N5O2
Molecular weight
680.99
Exact mass
679.1495
XLogP
8.03
TPSA
72.17
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.344
Molar refractivity
170.26
Supplementary Information
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