COc1ccc(C=C2CS(=O)(=O)CC3=C2N=C2SCCN2C3c2ccc(OC)cc2)cc1
SMILES: COc1ccc(C=C2CS(=O)(=O)CC3=C2N=C2SCCN2C3c2ccc(OC)cc2)cc1

Molecular Processing

Molecular formula
C24H24N2O4S2
Molecular weight
468.6
Exact mass
468.1177
XLogP
3.93
TPSA
68.2
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
128.98

Supplementary Information

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