SMILES:
CN1CCN(c2ccc3nnc(Sc4ccc5nc(N(C(=O)O)C(C)(C)C)sc5c4)n3n2)CC1.ClMolecular Processing
Molecular formula
C22H27ClN8O2S2
Molecular weight
535.1
Exact mass
534.1387
XLogP
4.34
TPSA
102.99
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
141.74
Supplementary Information
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