Name: 2-(3,5-bis-trifluoromethyl-benzoylamino)-4-(3-bromo-propoxy)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C20H16BrF6NO4
Molecular weight
528.24
Exact mass
527.0167
XLogP
5.93
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
106.09
Supplementary Information
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Involved in 8 reactions→