Name: 6-(4-Bromo-2-methyl-phenylamino)-7-fluoro-3(4-oxo-butyl)-3H benzoimidazole-5-carboxylic acid cyclopropylmethoxy-amide
SMILES:
Cc1cc(Br)ccc1Nc1c(C(=O)NOCC2CC2)cc2c(ncn2CCCC=O)c1FMolecular Processing
Molecular formula
C23H24BrFN4O3
Molecular weight
503.37
Exact mass
502.1016
XLogP
5.04
TPSA
85.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
123.29
Supplementary Information
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