COC(=O)c1cc2c(ncn2CCC(=O)N2CCCC2)c(F)c1Nc1ccc(Br)cc1Cl
الاسم: methyl 6-(4-bromo-2-chloroanilino)-7-fluoro-3-(3-oxo-3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxylate
SMILES: COC(=O)c1cc2c(ncn2CCC(=O)N2CCCC2)c(F)c1Nc1ccc(Br)cc1Cl

Molecular Processing

Molecular formula
C22H21BrClFN4O3
Molecular weight
523.79
Exact mass
522.047
XLogP
5.13
TPSA
76.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
123.9

Supplementary Information

InChIKey: ZQNIIRNLCQPACG-UHFFFAOYSA-N
مرادفات
SCHEMBL1037409ZQNIIRNLCQPACG-UHFFFAOYSA-N6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(3-oxo-3-pyrrolidin-1-yl-propyl)-3H-benzoimidazole-5-carboxylic acid methyl ester
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