SMILES:
COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1Molecular Processing
Molecular formula
C22H26N4O3S2
Molecular weight
458.61
Exact mass
458.1446
XLogP
3.81
TPSA
83.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
125.63
Supplementary Information
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