CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=COS(=O)(=O)c3ccc(C)cc3)CSC12)c1csc(N)n1
SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=COS(=O)(=O)c3ccc(C)cc3)CSC12)c1csc(N)n1

Molecular Processing

Molecular formula
C35H31N5O8S3
Molecular weight
745.86
Exact mass
745.1335
XLogP
4.29
TPSA
179.58
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
51
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.171
Molar refractivity
191.53

Supplementary Information

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