名称: 2-(4-Methoxymethoxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one
SMILES:
COCOc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)c2c1Sc1ccccc1S2Molecular Processing
Molecular formula
C23H21NO5S2
Molecular weight
455.56
Exact mass
455.0861
XLogP
4.74
TPSA
61.14
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
120.64
Supplementary Information
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