SMILES:
O=C(c1cccs1)N1CCC(N(C(=O)Nc2ncc(SCCN3CCOCC3)s2)C2CCCCC2)CC1Molecular Processing
Molecular formula
C26H37N5O3S3
Molecular weight
563.82
Exact mass
563.2059
XLogP
5.1
TPSA
78.01
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.654
Molar refractivity
151.07
Supplementary Information
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