SMILES:
Cc1nnc(-c2cccc(OCc3csc4c(C(=O)NCCO)cnc(N)c34)c2)o1Molecular Processing
Molecular formula
C20H19N5O4S
Molecular weight
425.47
Exact mass
425.1158
XLogP
2.54
TPSA
136.39
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
112.25
Supplementary Information
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