Cc1csc(NC(=O)c2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(OC3CCN(C)C3=O)c2)n1
SMILES: Cc1csc(NC(=O)c2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(OC3CCN(C)C3=O)c2)n1

Molecular Processing

Molecular formula
C25H23N5O5S
Molecular weight
505.56
Exact mass
505.142
XLogP
4.46
TPSA
119.68
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
132.46

Supplementary Information

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