SMILES:
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)NC45CC6CC(CC(C6)C4)C5)cc3)cc21Molecular Processing
Molecular formula
C36H37N5O5S
Molecular weight
651.79
Exact mass
651.2515
XLogP
6.93
TPSA
123.58
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
47
Rings
9
Aromatic rings
4
Saturated rings
5
Aliphatic rings
5
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
179.68
Supplementary Information
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