SMILES:
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(O)cc3)cc21Molecular Processing
Molecular formula
C25H21N3O5S
Molecular weight
475.53
Exact mass
475.1202
XLogP
4.54
TPSA
102.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
128.29
Supplementary Information
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