COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@@H](C)CC1)C1CC(OCc2ccccc2)C1
SMILES: COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC[C@@H](C)CC1)C1CC(OCc2ccccc2)C1

Molecular Processing

Molecular formula
C31H39NO4S
Molecular weight
521.72
Exact mass
521.26
XLogP
6.84
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
148.64

Supplementary Information

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