Name: Intermediate 153
SMILES:
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc(-c2ccnc(Cl)n2)c1Molecular Processing
Molecular formula
C20H25ClN4O4S
Molecular weight
452.96
Exact mass
452.1285
XLogP
3.43
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
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
113.64
Supplementary Information
Details werden geladen…
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