SMILES:
COC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCN(N5CCOCC5)CC4)n3)cc2)CCCCC1Molecular Processing
Molecular formula
C26H35N5O4S
Molecular weight
513.66
Exact mass
513.241
XLogP
2.79
TPSA
87.24
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.577
Molar refractivity
139.03
Supplementary Information
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