이름: N-{5-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]-3-[3-(trifluoromethyl)phenyl]pyridin-2-yl}-N-(methylsulfonyl)methanesulfonamide
SMILES:
Cc1cc(-c2cccc(C(F)(F)F)c2)c(N(S(C)(=O)=O)S(C)(=O)=O)nc1C(=O)N1CCC(N2CCCC2)CC1Molecular Processing
Molecular formula
C25H31F3N4O5S2
Molecular weight
588.67
Exact mass
588.1688
XLogP
3.5
TPSA
107.96
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
141.31
Supplementary Information
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