이름: 1-(4-bromobutyl)-3-(4-chlorophenyl)-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
SMILES:
O=S1(=O)N(CCCCBr)c2ccccc2N1c1ccc(Cl)cc1Molecular Processing
Molecular formula
C16H16BrClN2O2S
Molecular weight
415.74
Exact mass
413.9804
XLogP
4.72
TPSA
40.62
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
99.33
Supplementary Information
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