名称: [4-(6-Morpholin-4-yl-4-oxo-4H-pyran-2-yl)-thianthren-1-yloxy]-acetic acid methyl ester
SMILES:
COC(=O)COc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)c2c1Sc1ccccc1S2Molecular Processing
Molecular formula
C24H21NO6S2
Molecular weight
483.57
Exact mass
483.081
XLogP
4.31
TPSA
78.21
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
125.65
Supplementary Information
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