CCOC1=C(C=CC(=C1)C(F)(F)F)C2=NC(C(N2C(=O)N3CCC(CC3)CBr)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
الاسم: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(bromomethyl)piperidin-1-yl]methanone
SMILES: CCOC1=C(C=CC(=C1)C(F)(F)F)C2=NC(C(N2C(=O)N3CCC(CC3)CBr)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Molecular 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

InChIKey: XQHJHXUBGFOPHC-UHFFFAOYSA-N
مرادفات
[4,5-bis-(4-chloro-phenyl)-2-(2-ethoxy-4-trifluoromethyl-phenyl)-4,5-dihydro-imidazol-1-yl]-[4-bromomethyl-piperidin-1-yl]-methanoneSCHEMBL5003106
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