SMILES:
CCN(CC)C(=O)NC1CC2c3cccc4c3c(c(C3SCCS3)n4C)CC2N(C)C1Molecular Processing
Molecular formula
C24H34N4OS2
Molecular weight
458.7
Exact mass
458.2174
XLogP
4.42
TPSA
40.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
133.3
Supplementary Information
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