COc1ncc(OC)c2c(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4nccs4)CC3)c[nH]c12
SMILES: COc1ncc(OC)c2c(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4nccs4)CC3)c[nH]c12

Molecular Processing

Molecular formula
C26H24N4O4S
Molecular weight
488.57
Exact mass
488.1518
XLogP
4.34
TPSA
97.41
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
133.92

Supplementary Information

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