SMILES:
CCOC(=O)c1cc2c(NCCNc3nc(N)c(C#N)s3)nc(-c3ccc(Cl)cc3Cl)cn2n1Molecular Processing
Molecular formula
C21H18Cl2N8O2S
Molecular weight
517.4
Exact mass
516.065
XLogP
4.31
TPSA
143.25
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
132.62
Supplementary Information
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