CC(=O)OC1CSC(Oc2ccc(-c3ccc(N4CCCCC4)cc3)nc2)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Oc2ccc(-c3ccc(N4CCCCC4)cc3)nc2)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C27H32N2O7S
Molecular weight
528.63
Exact mass
528.193
XLogP
3.99
TPSA
104.26
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
139.27

Supplementary Information

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