CCCCCCCCCCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21
SMILES: CCCCCCCCCCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21

Molecular Processing

Molecular formula
C28H37N3O7S
Molecular weight
559.69
Exact mass
559.2352
XLogP
5.68
TPSA
124.13
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
146.77

Supplementary Information

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