이름: 4-{4-[6-bromo-2-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-piperidinyl}tetrahydro-2H-pyran-4-carbonitrile
SMILES:
N#CC1(N2CCC(n3c(=O)[nH]c4cc(C(F)(F)F)c(Br)cc43)CC2)CCOCC1Molecular Processing
Molecular formula
C19H20BrF3N4O2
Molecular weight
473.29
Exact mass
472.0722
XLogP
3.82
TPSA
74.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
103.5
Supplementary Information
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