SMILES:
Cl.NCCCN(CCCc1ccccc1)S(=O)(=O)c1cccc2c(N)nccc12Molecular Processing
Molecular formula
C21H27ClN4O2S
Molecular weight
434.99
Exact mass
434.1543
XLogP
3.21
TPSA
102.31
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.286
Molar refractivity
120.6
Supplementary Information
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