名称: methyl (3RS,4RS)-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-[2-(thien-2-yl)thioethyl]piperidine-3-acetate
SMILES:
COC(=O)CC1CN(CCSc2cccs2)CCC1CCCc1c(F)cnc2ccc(OC)cc12Molecular Processing
Molecular formula
C27H33FN2O3S2
Molecular weight
516.7
Exact mass
516.1917
XLogP
6.06
TPSA
51.66
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
140.9
Supplementary Information
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