CCOC(=O)CC(NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1
SMILES: CCOC(=O)CC(NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1

Molecular Processing

Molecular formula
C30H28N4O4S
Molecular weight
540.65
Exact mass
540.1831
XLogP
5.95
TPSA
113.18
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
39
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
152.01

Supplementary Information

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