COC(=O)c1cc2c(ncn2CCC(=O)O)c(F)c1Nc1ccc(Br)cc1Cl
الاسم: 3-[5-(4-bromo-2-chloroanilino)-4-fluoro-6-methoxycarbonylbenzimidazol-1-yl]propanoic acid
SMILES: COC(=O)c1cc2c(ncn2CCC(=O)O)c(F)c1Nc1ccc(Br)cc1Cl

Molecular Processing

Molecular formula
C18H14BrClFN3O4
Molecular weight
470.68
Exact mass
468.984
XLogP
4.6
TPSA
93.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
105.72

Supplementary Information

InChIKey: VWEZOWBYEIWIBQ-UHFFFAOYSA-N
مرادفات
SCHEMBL1040285VWEZOWBYEIWIBQ-UHFFFAOYSA-N6-(4-bromo -2-chloro-phenylamino)-3-(2-carboxy-ethyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid methyl ester6-(4-bromo-2-chloro-phenylamino)-3-(2-carboxy-ethyl)-7-fluoro-3H-benzoimidazole-5-carboxylic acid methyl ester
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