CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1
SMILES: CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1

Molecular Processing

Molecular formula
C30H33NO4S
Molecular weight
503.66
Exact mass
503.213
XLogP
6.67
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
144.68

Supplementary Information

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