Name: 3-[[[2-[3-(4-fluorophenyl)-propylsulfanyl]-pyridine-3-carbonyl]amino]-methyl]-benzoic acid methyl ester
SMILES:
COC(=O)c1cccc(CNC(=O)c2cccnc2SCCCc2ccc(F)cc2)c1Molecular Processing
Molecular formula
C24H23FN2O3S
Molecular weight
438.52
Exact mass
438.1413
XLogP
4.66
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
118.63
Supplementary Information
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