SMILES:
CCCCCCCCC=CCCCCCCCC(=O)Nc1c(SC)ccc2ncccc12Molecular Processing
Molecular formula
C28H42N2OS
Molecular weight
454.72
Exact mass
454.3018
XLogP
8.93
TPSA
41.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
17
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
141.61
Supplementary Information
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