COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1ccccc1C(F)(F)F
名称: 4-(3-bromo-propoxy)-2-(2-trifluoromethyl-benzoylamino)-benzoic acid methyl ester
SMILES: COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1ccccc1C(F)(F)F

Molecular Processing

Molecular formula
C19H17BrF3NO4
Molecular weight
460.25
Exact mass
459.0293
XLogP
4.91
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
101.08

Supplementary Information

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