Cc1ccc(-c2c(OCCOc3ncc(-c4cccs4)cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
SMILES: Cc1ccc(-c2c(OCCOc3ncc(-c4cccs4)cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

Molecular Processing

Molecular formula
C31H33N5O4S2
Molecular weight
603.77
Exact mass
603.1974
XLogP
6.47
TPSA
108.23
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
42
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
165.67

Supplementary Information

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