Name: 2-(4-methoxy-benzenesulfonyl)-5-methyl-2-pyridin-3-ylmethyl-hex-4-enoic acid ethyl ester
SMILES:
CCOC(=O)C(CC=C(C)C)(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1Molecular Processing
Molecular formula
C22H27NO5S
Molecular weight
417.53
Exact mass
417.161
XLogP
3.76
TPSA
82.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
111.53
Supplementary Information
Details werden geladen…
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