C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)Br)O
이름: 2-[2-(5-bromo-2-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILES: C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)Br)O

Molecular Processing

Molecular formula
C29H24BrN3O3
Molecular weight
542.43
Exact mass
541.1001
XLogP
7.59
TPSA
88.24
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
144.35

Supplementary Information

InChIKey: VSVCSBJWCICMBW-UHFFFAOYSA-N
동의어
SCHEMBL4125468VSVCSBJWCICMBW-UHFFFAOYSA-N2-[2-(5-bromo-2-hydroxy-phenyl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylic acid, 2-[2-(5-bromo-2-hydroxyphenyl)-6-quinolinyl]-1-cyclohexyl-2-[2-(5-Bromo-2-hydroxy-phenyl)-quinolin-6-yl]-1-cyclohexyl-1H-benzoimidazole-5-carboxylic Acid
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