이름: 4-[2-(1-Azetidin-3-yl-1H-pyrazol-5-yl)-4-fluorophenoxy]-5-chloro-2-flouro-N-1,3-thiazol-4-ylbenzenesulfonamide
SMILES:
O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(F)cc2-c2ccnn2C2CNC2)cc1FMolecular Processing
Molecular formula
C21H16ClF2N5O3S2
Molecular weight
523.97
Exact mass
523.0351
XLogP
4.68
TPSA
98.14
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
123.93
Supplementary Information
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