이름: tert-Butyl ({4-[4-chloro-2-(2-formylpyridin-4-yl)phenoxy]-2,5-difluorophenyl}sulfonyl)1,3-thiazol-4-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(C=O)c2)cc1FMolecular Processing
Molecular formula
C26H20ClF2N3O6S2
Molecular weight
608.04
Exact mass
607.045
XLogP
6.87
TPSA
115.76
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
144.52
Supplementary Information
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