SMILES:
CS(=O)(=O)N(CCC1CCCCN1c1ccnc(-n2ccnc2)n1)Cc1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C23H28N6O4S
Molecular weight
484.58
Exact mass
484.1893
XLogP
2.6
TPSA
102.68
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
126.57
Supplementary Information
Details werden geladen…
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