الاسم: 2-(4-bromobutyl)-2-[5-methoxy-2-(tetrahydropyran-2-yloxy)phenyl]-4-methyl-3-oxo-2H-1,4-benzothiazine
SMILES:
COc1ccc(OC2CCCCO2)c(C2(CCCCBr)Sc3ccccc3N(C)C2=O)c1Molecular Processing
Molecular formula
C25H30BrNO4S
Molecular weight
520.49
Exact mass
519.1079
XLogP
6.13
TPSA
48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
132.24
Supplementary Information
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