CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1
SMILES: CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C29H33NO4S
Molecular weight
491.65
Exact mass
491.213
XLogP
6.47
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
141.67

Supplementary Information

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