COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3cccs3)c3ccccc32)C(C)C)cc1
SMILES: COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)C(=O)N(c3cccs3)c3ccccc32)C(C)C)cc1

Molecular Processing

Molecular formula
C33H31N5O4S
Molecular weight
593.71
Exact mass
593.2097
XLogP
5.94
TPSA
98.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
43
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.212
Molar refractivity
169.16

Supplementary Information

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