Name: N-(7′-bromo-4′-fluoro-2′-methoxy-5,6-dihydrospiro[[1,3]thiazine-4,9′-xanthen]-2-yl)benzamide
SMILES:
COc1cc(F)c2c(c1)C1(CCSC(NC(=O)c3ccccc3)=N1)c1cc(Br)ccc1O2Molecular Processing
Molecular formula
C24H18BrFN2O3S
Molecular weight
513.39
Exact mass
512.0206
XLogP
5.87
TPSA
59.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
126.37
Supplementary Information
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