이름: 1-[3(bromomethyl)benzyl]-3-(2-fluorophenyl)-1,3-dihydro-2,1,3-benzothiadiazole2,2-dioxide
SMILES:
O=S1(=O)N(Cc2cccc(CBr)c2)c2ccccc2N1c1ccccc1FMolecular Processing
Molecular formula
C20H16BrFN2O2S
Molecular weight
447.33
Exact mass
446.01
XLogP
5.12
TPSA
40.62
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
109.16
Supplementary Information
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