COCC1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)O)c(C)sc4c3)c2s1
SMILES: COCC1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)O)c(C)sc4c3)c2s1

Molecular Processing

Molecular formula
C24H22N2O5S2
Molecular weight
482.58
Exact mass
482.097
XLogP
5.56
TPSA
88.96
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
129.15

Supplementary Information

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