COC(=O)c1ccc(C(=O)c2ccc(CSc3nc4cccc(C)c4c(=O)n3C)cc2)cc1
SMILES: COC(=O)c1ccc(C(=O)c2ccc(CSc3nc4cccc(C)c4c(=O)n3C)cc2)cc1

Molecular Processing

Molecular formula
C26H22N2O4S
Molecular weight
458.54
Exact mass
458.13
XLogP
4.55
TPSA
78.26
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
128.94

Supplementary Information

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