Name: N-[[1-(5-bromo-3-chloro-2-pyridyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
SMILES:
O=C(NCC1(c2ncc(Br)cc2Cl)CC1)c1ccccc1C(F)(F)FMolecular Processing
Molecular formula
C17H13BrClF3N2O
Molecular weight
433.66
Exact mass
431.9852
XLogP
4.98
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
91.64
Supplementary Information
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