COc1ncc(-c2cc(-c3nnc(CN4CCOC5(CCCC5)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
SMILES: COc1ncc(-c2cc(-c3nnc(CN4CCOC5(CCCC5)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O

Molecular Processing

Molecular formula
C25H29N7O5S
Molecular weight
539.62
Exact mass
539.1951
XLogP
3.2
TPSA
148.36
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
140.06

Supplementary Information

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