Cc1ccc(-n2nc(C)c(C=NN3CC(=O)N(c4cccc(C(=O)O)c4)C3=S)c2O)cc1C
SMILES: Cc1ccc(-n2nc(C)c(C=NN3CC(=O)N(c4cccc(C(=O)O)c4)C3=S)c2O)cc1C

Molecular Processing

Molecular formula
C23H21N5O4S
Molecular weight
463.52
Exact mass
463.1314
XLogP
3.17
TPSA
111.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
127.23

Supplementary Information

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