이름: 4-[[4-methoxybenzenesulfonyl](benzyl)amino]-4-carboxy-tetrahydrothiopyran
SMILES:
COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)O)CCSCC2)cc1Molecular Processing
Molecular formula
C20H23NO5S2
Molecular weight
421.54
Exact mass
421.1018
XLogP
3.24
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
109.09
Supplementary Information
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