SMILES:
N#CC1(NC(=O)C(CC2CCCCC2)NC2=NS(=O)(=O)c3ccccc32)CCN(C2CCCCC2)C1Molecular Processing
Molecular formula
C27H37N5O3S
Molecular weight
511.69
Exact mass
511.2617
XLogP
3.48
TPSA
114.66
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
137.83
Supplementary Information
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