SMILES:
N=C(N)Nc1nc(C2CCCC(Nc3c(NCCc4ccc(Cl)cc4)c(=O)c3=O)C2)cs1Molecular Processing
Molecular formula
C22H25ClN6O2S
Molecular weight
473
Exact mass
472.1448
XLogP
3.49
TPSA
132.99
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
131.27
Supplementary Information
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