SMILES:
CCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=OMolecular Processing
Molecular formula
C20H29N5O2S
Molecular weight
403.55
Exact mass
403.2042
XLogP
3.23
TPSA
102.9
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
114.76
Supplementary Information
Details werden geladen…
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