이름: 6-Bromo-2-(2,4-dimethoxybenzyl)-3,4-dihydro-2H-benzo[e][1,2]thiazine 1,1-dioxide
SMILES:
COc1ccc(CN2CCc3cc(Br)ccc3S2(=O)=O)c(OC)c1Molecular Processing
Molecular formula
C17H18BrNO4S
Molecular weight
412.31
Exact mass
411.014
XLogP
3.21
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
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
0.294
Molar refractivity
94.99
Supplementary Information
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