SMILES:
Cc1c(CN2CCN(c3nccnc3-c3ccc(CCNS(C)(=O)=O)cc3)CC2)cnn1C.ClMolecular Processing
Molecular formula
C23H32ClN7O2S
Molecular weight
506.08
Exact mass
505.2027
XLogP
2.02
TPSA
96.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.435
Molar refractivity
136.7
Supplementary Information
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