Название: Intermediate 144
SMILES:
CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(Cl)n3)c2)S(=O)(=O)CC1Molecular Processing
Molecular formula
C20H25ClN4O4S
Molecular weight
452.96
Exact mass
452.1285
XLogP
3.18
TPSA
92.7
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
114.48
Supplementary Information
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