CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc5c(c4)CN(C(=O)NS(=O)(=O)c4ccccc4)C5)cc23)CC1
SMILES: CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc5c(c4)CN(C(=O)NS(=O)(=O)c4ccccc4)C5)cc23)CC1

Molecular Processing

Molecular formula
C31H33N5O6S2
Molecular weight
635.77
Exact mass
635.1872
XLogP
3.88
TPSA
162.74
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
166.67

Supplementary Information

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