이름: tert-butyl((5-chloro-4-((6-chloro-4-(pyrimidin-5-yl)pyridin-3-yl)oxy)-2-fluorophenyl)sulfonyl)(thiazol-4-yl)carbamate
SMILES:
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2cnc(Cl)cc2-c2cncnc2)cc1FMolecular Processing
Molecular formula
C23H18Cl2FN5O5S2
Molecular weight
598.47
Exact mass
597.011
XLogP
6.36
TPSA
124.47
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
139.77
Supplementary Information
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