SMILES:
COCc1cc(OC)c(-c2c(SC)sc3c(NC(=O)OC(C)(C)C)c(C)nn23)c(OC)c1Molecular Processing
Molecular formula
C22H29N3O5S2
Molecular weight
479.62
Exact mass
479.1549
XLogP
5.6
TPSA
83.32
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
128.7
Supplementary Information
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