SMILES:
COc1ccc2nc(NC(=O)C(C[C@H]3CCC(=O)C3)c3ccc4c(c3)N(C)c3ccccc3S4(=O)=O)sc2n1Molecular Processing
Molecular formula
C28H26N4O5S2
Molecular weight
562.67
Exact mass
562.1345
XLogP
5.1
TPSA
118.56
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
148.7
Supplementary Information
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